Sample records for x-band electron linear

  1. X -band rf driven free electron laser driver with optics linearization

    DOE PAGES

    Sun, Yipeng; Emma, Paul; Raubenheimer, Tor; ...

    2014-11-13

    In this paper, a compact hard X-ray free electron lasers (FEL) design is proposed with all X-band rf acceleration and two stage bunch compression. It eliminates the need of a harmonic rf linearization section by employing optics linearization in its first stage bunch compression. Quadrupoles and sextupoles are employed in a bunch compressor one (BC1) design, in such a way that second order longitudinal dispersion of BC1 cancels the second order energy correlation in the electron beam. Start-to-end 6-D simulations are performed with all the collective effects included. Emittance growth in the horizontal plane due to coherent synchrotron radiation ismore » investigated and minimized, to be on a similar level with the successfully operating Linac coherent light source (LCLS). At a FEL radiation wavelength of 0.15 nm, a saturation length of 40 meters can be achieved by employing an undulator with a period of 1.5 cm. Without tapering, a FEL radiation power above 10 GW is achieved with a photon pulse length of 50 fs, which is LCLS-like performance. The overall length of the accelerator plus undulator is around 250 meters which is much shorter than the LCLS length of 1230 meters. That makes it possible to build hard X-ray FEL in a laboratory with limited size.« less

  2. Permanent magnet focused X-band photoinjector

    DOEpatents

    Yu, David U. L.; Rosenzweig, James

    2002-09-10

    A compact high energy photoelectron injector integrates the photocathode directly into a multicell linear accelerator with no drift space between the injection and the linac. High electron beam brightness is achieved by accelerating a tightly focused electron beam in an integrated, multi-cell, X-band rf linear accelerator (linac). The photoelectron linac employs a Plane-Wave-Transformer (PWT) design which provides strong cell-to-cell coupling, easing manufacturing tolerances and costs.

  3. Design of an X -band electron linear accelerator dedicated to decentralized 99Mo/99mTc supply: From beam energy selection to yield estimation

    NASA Astrophysics Data System (ADS)

    Jang, Jaewoong; Yamamoto, Masashi; Uesaka, Mitsuru

    2017-10-01

    The most frequently used radionuclide in diagnostic nuclear medicine, 99mTc, is generally obtained by the decay of its parent radionuclide, 99Mo. Recently, concerns have been raised over shortages of 99Mo/99mTc, owing to aging of the research reactors which have been supplying practically all of the global demand for 99Mo in a centralized fashion. In an effort to prevent such 99Mo/99mTc supply disruption and, furthermore, to ameliorate the underlying instability of the centralized 99Mo/99mTc supply chain, we designed an X -band electron linear accelerator which can be distributed over multiple regions, whereby 99Mo/99mTc can be supplied with improved accessibility. The electron beam energy was designed to be 35 MeV, at which an average beam power of 9.1 kW was calculated by the following beam dynamics analysis. Subsequent radioactivity modeling suggests that 11 of the designed electron linear accelerators can realize self-sufficiency of 99Mo/99mTc in Japan.

  4. Development of an automatic frequency control system for an X-band (=9300 MHz) RF electron linear accelerator

    NASA Astrophysics Data System (ADS)

    Cha, Sungsu; Kim, Yujong; Lee, Byung Cheol; Park, Hyung Dal; Lee, Seung Hyun; Buaphad, Pikad

    2017-05-01

    KAERI is developing a 6 MeV X-band radio frequency (RF) electron linear accelerator for medical purposes. The proposed X-band accelerator consists of an e-gun, an accelerating structure, two solenoid magnets, two steering magnets, a magnetron, a modulator, and an automatic frequency control (AFC) system. The accelerating structure of the component consists of oxygen-free high-conductivity copper (OFHC). Therefore, the ambient temperature changes the volume, and the resonance frequency of the accelerating structure also changes. If the RF frequency of a 9300 MHz magnetron and the resonance frequency of the accelerating structure do not match, it can degrade the performance. That is, it will decrease the output power, lower the beam current, decrease the X-ray dose rate, increase the reflection power, and result in unstable operation of the accelerator. Accelerator operation should be possible at any time during all four seasons. To prevent humans from being exposed to radiation when it is operated, the accelerator should also be operable through remote monitoring and remote control. Therefore, the AFC system is designed to meet these requirements; it is configured based on the concept of a phase-locked loop (PLL) model, which includes an RF section, an intermediate frequency (IF) [1-3] section, and a local oscillator (LO) section. Some resonance frequency controllers use a DC motor, chain, and potentiometer to store the position and tune the frequency [4,5]. Our AFC system uses a step motor to tune the RF frequency of the magnetron. The maximum tuning turn number of our magnetron frequency tuning shaft is ten. Since the RF frequency of our magnetron is 9300±25 MHz, it gives 5 MHz (∵±25 MHz/10 turns → 50 MHz/10 turns =5 MHz/turn) frequency tuning per turn. The rotation angle of our step motor is 0.72° per step and the total step number per one rotation is 360°/0.72°=500 steps. Therefore, the tuning range per step is 10 kHz/step (=5 MHz per turn/500 steps per

  5. Design of 140 MW X-band Relativistic Klystron for Linear Collider

    NASA Astrophysics Data System (ADS)

    Dolbilov, G. V.; Azorsky, N. I.; Shvetsov, V. S.; Balakin, V. E.; Avrakhov, P. V.; Kazakov, S. Yu.; Teryaev, V. E.; Vogel, V. F.

    1997-05-01

    It has been reported at EPAC-96 on successful experimental results on achievement of 100 MW output rf power in a wide aperture (15 mm), high gain (80 dB) 14 GHz VLEPP klystron with distributed suppression of parasitic oscillations (G.V. Dolbilov et al., Proc. EPAC-96, Sitges (Barselona), 10-14 June, 1996, Vol. 3, p. 2143). This report presents design of an electrodynamic structure of the X-band klystron for linear collider with a higher efficiency up to 56 % which will be achieved at the same parameters of the electron beam (U = 1 MeV, I = 250 A, emittance 0.05 π cm\\cdotrad). Design rf output power of the klystron is 140 MW. Experimental investigations of electrodynamic structure of the klystron are planned to perform using the driving beam of the JINR LIA-3000 induction accelerator (E = 1 MeV, I = 250 A, τ = 250 ns).

  6. X-band RF gun and linac for medical Compton scattering X-ray source

    NASA Astrophysics Data System (ADS)

    Dobashi, Katsuhito; Uesaka, Mitsuru; Fukasawa, Atsushi; Sakamoto, Fumito; Ebina, Futaro; Ogino, Haruyuki; Urakawa, Junji; Higo, Toshiyasu; Akemoto, Mitsuo; Hayano, Hitoshi; Nakagawa, Keiichi

    2004-12-01

    Compton scattering hard X-ray source for 10-80 keV are under construction using the X-band (11.424 GHz) electron linear accelerator and YAG laser at Nuclear Engineering Research laboratory, University of Tokyo. This work is a part of the national project on the development of advanced compact medical accelerators in Japan. National Institute for Radiological Science is the host institute and U.Tokyo and KEK are working for the X-ray source. Main advantage is to produce tunable monochromatic hard (10-80 keV) X-rays with the intensities of 108-1010 photons/s (at several stages) and the table-top size. Second important aspect is to reduce noise radiation at a beam dump by adopting the deceleration of electrons after the Compton scattering. This realizes one beamline of a 3rd generation SR source at small facilities without heavy shielding. The final goal is that the linac and laser are installed on the moving gantry. We have designed the X-band (11.424 GHz) traveling-wave-type linac for the purpose. Numerical consideration by CAIN code and luminosity calculation are performed to estimate the X-ray yield. X-band thermionic-cathode RF-gun and RDS(Round Detuned Structure)-type X-band accelerating structure are applied to generate 50 MeV electron beam with 20 pC microbunches (104) for 1 microsecond RF macro-pulse. The X-ray yield by the electron beam and Q-switch Nd:YAG laser of 2 J/10 ns is 107 photons/RF-pulse (108 photons/sec at 10 pps). We design to adopt a technique of laser circulation to increase the X-ray yield up to 109 photons/pulse (1010 photons/s). 50 MW X-band klystron and compact modulator have been constructed and now under tuning. The construction of the whole system has started. X-ray generation and medical application will be performed in the early next year.

  7. Design and application of multimegawatt X -band deflectors for femtosecond electron beam diagnostics

    DOE PAGES

    Dolgashev, Valery A.; Bowden, Gordon; Ding, Yuantao; ...

    2014-10-02

    Performance of the x-ray free electron laser Linac Coherent Light Source (LCLS) and the Facility for Advanced Accelerator Experimental Tests (FACET) is determined by the properties of their extremely short electron bunches. Multi-GeV electron bunches in both LCLS and FACET are less than 100 fs long. Optimization of beam properties and understanding of free-electron laser operation require electron beam diagnostics with time resolution of about 10 fs. We designed, built and commissioned a set of high frequency X-band deflectors which can measure the beam longitudinal space charge distribution and slice energy spread to better than 10 fs resolution at fullmore » LCLS energy (14 GeV), and with 70 fs resolution at full FACET energy (20 GeV). Use of high frequency and high gradient in these devices allows them to reach unprecedented performance. We report on the physics motivation, design considerations, operational configuration, cold tests, and typical results of the X-band deflector systems currently in use at SLAC.« less

  8. Ballistic-electron-emission spectroscopy of Al{sub x}Ga{sub 1{minus}x}As/GaAs heterostructures: Conduction-band offsets, transport mechanisms, and band-structure effects

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    OShea, J.J.; Brazel, E.G.; Rubin, M.E.

    1997-07-01

    We report an extensive investigation of semiconductor band-structure effects in single-barrier Al{sub x}Ga{sub 1{minus}x}As/GaAs heterostructures using ballistic-electron-emission spectroscopy (BEES). The transport mechanisms in these single-barrier structures were studied systematically as a function of temperature and Al composition over the full compositional range (0{le}x{le}1). The initial ({Gamma}) BEES thresholds for Al{sub x}Ga{sub 1{minus}x}As single barriers with 0{le}x{le}0.42 were extracted using a model which includes the complete transmission probability of the metal-semiconductor interface and the semiconductor heterostructure. Band offsets measured by BEES are in good agreement with previous measurements by other techniques which demonstrates the accuracy of this technique. BEES measurements atmore » 77 K give the same band-offset values as at room temperature. When a reverse bias is applied to the heterostructures, the BEES thresholds shift to lower voltages in good agreement with the expected bias-induced band-bending. In the indirect band-gap regime ({ital x}{gt}0.45), spectra show a weak ballistic-electron-emission microscopy current contribution due to intervalley scattering through Al{sub x}Ga{sub 1{minus}x}As {ital X} valley states. Low-temperature spectra show a marked reduction in this intervalley current component, indicating that intervalley phonon scattering at the GaAs/Al{sub x}Ga{sub 1{minus}x}As interface produces a significant fraction of this{ital X} valley current. A comparison of the BEES thresholds with the expected composition dependence of the Al{sub x}Ga{sub 1{minus}x}As {Gamma}, {ital L}, and {ital X} points yields good agreement over the entire composition range. {copyright} {ital 1997} {ital The American Physical Society}« less

  9. MMIC linear-phase and digital modulators for deep space spacecraft X-band transponder applications

    NASA Technical Reports Server (NTRS)

    Mysoor, Narayan R.; Ali, Fazal

    1991-01-01

    The design concepts, analyses, and development of GaAs monolithic microwave integrated circuit (MMIC) linear-phase and digital modulators for the next generation of space-borne communications systems are summarized. The design approach uses a compact lumped element quadrature hybrid and Metal Semiconductor Field Effect Transistors (MESFET)-varactors to provide low loss and well-controlled phase performance for deep space transponder (DST) applications. The measured results of the MESFET-diode show a capacitance range of 2:1 under reverse bias, and a Q of 38 at 10 GHz. Three cascaded sections of hybrid-coupled reflection phase shifters were modeled and simulations performed to provide an X-band (8415 +/- 50 MHz) DST phase modulator with +/- 2.5 radians of peak phase deviation. The modulator will accommodate downlink signal modulation with composite telemetry and ranging data, with a deviation linearity tolerance of +/- 8 percent and insertion loss of less than 8 +/- 0.5 dB. The MMIC digital modulator is designed to provide greater than 10 Mb/s of bi-phase modulation at X-band.

  10. First-principle study of effect of variation of `x' on the band alignment in CZTS1-xSex

    NASA Astrophysics Data System (ADS)

    Ghemud, Vipul; Kshirsagar, Anjali

    2018-04-01

    The present work concentrates on the electronic structure study of CZTS1-xSex alloy with x ranging from 0 to 1. For the alloy study, we have carried out first-principles calculations employing generalized gradient approximation for structural optimization and further hybrid functional approach to compare the optical band gap with that obtained from the experiments. A systematic increase in the lattice parameters with lowering of band gap from 1.52eV to 1.04eV is seen with increasing Se concentration from 0 to 100%, however the lowering of valence band edge and conduction band edge is not linear with the concentration variation. Our results indicate that the lowering of band gap is a result increased Cu:d and Se:p hybridization with increasing `x'.

  11. C (G)-Band & X (I) - Band Noncoherent Radar Transponder Performance Specification Standard

    DTIC Science & Technology

    2002-04-01

    TRAINING RANGE NEVADA TEST SITE STANDARD 262-02 ELECTRONIC TRAJECTORY MEASUREMENTS GROUP C (G) – BAND & X (I) – BAND NONCOHERENT RADAR...Date 00 Apr 2002 Report Type N/A Dates Covered (from... to) - Title and Subtitle C (G)-Band & X (I) - Band Noncoherent Radar Transponder...Number of Pages 157 i STANDARD 262-02 C (G) – BAND & X (I) – BAND NONCOHERENT RADAR TRANSPONDER PERFORMANCE SPECIFICATION STANDARD APRIL 2002 Prepared by

  12. Characteristics of a KA-band third-harmonic peniotron driven by a high-quality linear axis-encircling electron beam

    NASA Astrophysics Data System (ADS)

    Zhao, Xiaoyun; Tuo, Xianguo; Ge, Qing; Peng, Ying

    2017-12-01

    We employ a high-quality linear axis-encircling electron beam generated by a Cuccia coupler to drive a Ka-band third-harmonic peniotron and develop a self-consistent nonlinear calculation code to numerically analyze the characteristics of the designed peniotron. It is demonstrated that through a Cuccia coupler, a 6 kV, 0.5 A pencil beam and an input microwave power of 16 kW at 10 GHz can generate a 37 kV, 0.5 A linear axis-encircling beam, and it is characterized by a very low velocity spread. Moreover, the electron beam guiding center deviation can be adjusted easily. Driven by such a beam, a 30 GHz, Ka-band third-harmonic peniotron is predicted to achieve a conversion efficiency of 51.0% and a microwave output power of 9.44 kW; the results are in good agreement with the Magic3D simulation. Using this code, we studied the factors influencing the peniotron performance, and it can provide some guidelines for the design of a Ka-band third-harmonic peniotron driven by a linear electron beam and can promote the application of high-harmonic peniotrons in practice.

  13. Design and analysis of low-loss linear analog phase modulator for deep space spacecraft X-band transponder (DST) application

    NASA Technical Reports Server (NTRS)

    Mysoor, Narayan R.; Mueller, Robert O.

    1991-01-01

    This paper summarizes the design concepts, analyses, and the development of an X-band transponder low-loss linear phase modulator for deep space spacecraft applications. A single section breadboard circulator-coupled reflection phase modulator has been analyzed, fabricated, and evaluated. Two- and three-cascaded sections have been modeled and simulations performed to provide an X-band DST phase modulator with +/- 2.5 radians of peak phase deviation to accommodate down-link signal modulation with composite telemetry data and ranging with a deviation linearity tolerance +/- 8 percent and insertion loss of less than 10 +/- 0.5 dB. A two-section phase modulator using constant gamma hyperabrupt varactors and an efficient modulator driver circuit was breadboarded. The measured results satisfy the DST phase modulator requirements, and excellent agreement with the predicted results.

  14. Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne

    NASA Astrophysics Data System (ADS)

    Shi, Lei; Rohringer, Philip; Wanko, Marius; Rubio, Angel; Waßerroth, Sören; Reich, Stephanie; Cambré, Sofie; Wenseleers, Wim; Ayala, Paola; Pichler, Thomas

    2017-12-01

    Ultralong linear carbon chains of more than 6000 carbon atoms have recently been synthesized within double-walled carbon nanotubes (DWCNTs), and they show a promising route to one-atom-wide semiconductors with a direct band gap. Theoretical studies predicted that this band gap can be tuned by the length of the chains, the end groups, and their interactions with the environment. However, different density functionals lead to very different values of the band gap of infinitely long carbyne. In this work, we applied resonant Raman excitation spectroscopy with more than 50 laser wavelengths to determine the band gap of long carbon chains encapsulated inside DWCNTs. The experimentally determined band gaps ranging from 2.253 to 1.848 eV follow a linear relation with Raman frequency. This lower bound is the smallest band gap of linear carbon chains observed so far. The comparison with experimental data obtained for short chains in gas phase or in solution demonstrates the effect of the DWCNT encapsulation, leading to an essential downshift of the band gap. This is explained by the interaction between the carbon chain and the host tube, which greatly modifies the chain's bond-length alternation.

  15. Design and analysis of a low-loss linear analog phase modulator for deep space spacecraft X-band transponder applications

    NASA Technical Reports Server (NTRS)

    Mysoor, N. R.; Mueller, R. O.

    1991-01-01

    This article summarizes the design concepts, analyses, and development of an X-band (8145 MHz) transponder low-loss linear phase modulator for deep space spacecraft applications. A single-section breadboard circulator-coupled reflection phase modulator has been analyzed, fabricated, and evaluated. A linear phase deviation of 92 deg with a linearity tolerance of +/- 8 percent was measured for this modulator from 8257 MHz to 8634 MHz over the temperature range -20 to 75 C. The measured insertion loss and the static delay variation with temperature were 2 +/- 0.3 dB and 0.16 psec/ C, respectively. Based on this design, cascaded sections have been modeled, and simulations were performed to provide an X-band deep space transponder (DST) phase modulator with +/- 2.5 radians (+/- 143 deg) of peak phase deviation to accommodate downlink signal modulation with composite telemetry data and ranging, with a deviation linearity tolerance of +/- 8 percent and insertion loss of less than 10 +/- 0.5 dB. A two-section phase modulator using constant gamma hyperabrupt varactors and an efficient modulator driver circuit was breadboarded. The measured results satisfy the DST phase-modulator requirements and show excellent agreement with the predicted results.

  16. An X-Band Gun Test Area at SLAC

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Limborg-Deprey, C.; Adolphsen, C.; Chu, T.S.

    The X-Band Test Area (XTA) is being assembled in the NLCTA tunnel at SLAC to serve as a test facility for new RF guns. The first gun to be tested will be an upgraded version of the 5.6 cell, 200 MV/m peak field X-band gun designed at SLAC in 2003 for the Compton Scattering experiment run in ASTA. This new version includes some features implemented in 2006 on the LCLS gun such as racetrack couplers, increased mode separation and elliptical irises. These upgrades were developed in collaboration with LLNL since the same gun will be used in an injector formore » a LLNL Gamma-ray Source. Our beamline includes an X-band acceleration section which takes the electron beam up to 100 MeV and an electron beam measurement station. Other X-Band guns such as the UCLA Hybrid gun will be characterized at our facility.« less

  17. The electronic band structure of Ge1-x Sn x in the full composition range: indirect, direct, and inverted gaps regimes, band offsets, and the Burstein-Moss effect

    NASA Astrophysics Data System (ADS)

    Polak, M. P.; Scharoch, P.; Kudrawiec, R.

    2017-05-01

    A comprehensive and detailed study of the composition dependence of lattice constants, band gaps and band offsets has been performed for bulk Ge1-x Sn x alloy in the full composition range using state-of-the-art density functional theory methods. A spectral weight approach to band unfolding has been applied as a means of distinguishing the indirect and direct band gaps from folded supercell band structures. In this way, four characteristic regions of the band gap character have been identified for Ge1-x Sn x alloy: an indirect band gap (x  <  6.5%), a direct band gap (6.5%  <  x  <  25%) and an inverse band gap (x  >  25%) with inverse spin-orbit split-off for 45%  <  x  <  85%. In general, it has been observed that the bowing parameters of band edges (Γ and L-point in conduction band (CBΓ and CB L ), valence band (VB), and spin-orbit (SO) band) are rather large ({{b}\\text{C{{\\text{B}} Γ }}}   =  2.43  ±  0.06 eV, {{b}\\text{C{{\\text{B}}L}}}   =  0.64  ±  0.04 eV, {{b}\\text{VB}}   =  -0.59  ±  0.04 eV, and {{b}\\text{SO}}   =  -0.49  ±  0.05 eV). This indicates that Ge1-x Sn x behaves like a highly mismatched group IV alloy. The composition dependence of lattice constant shows negligible bowing (b a   =  -0.083 Å). Obtained results have been compared with available experimental data. The origin of band gap reduction and large bowing has been analyzed and conclusions have been drawn regarding the relationship between experimental and theoretical results. It is shown that due to the low DOS at the Γ-point, a significant filling of CB by electrons in the direct gap regime may easily take place. Therefore, the Burstein-Moss effect should be considered when comparing experimental data with theoretical predictions as has already been shown for other intrinsic n-type narrow gap semiconductors (e.g. InN).

  18. Gd3+ spin-lattice relaxation via multi-band conduction electrons in Y(1-x)Gd(x)In3: an electron spin resonance study.

    PubMed

    Cabrera-Baez, M; Iwamoto, W; Magnavita, E T; Osorio-Guillén, J M; Ribeiro, R A; Avila, M A; Rettori, C

    2014-04-30

    Interest in the electronic structure of the intermetallic compound YIn3 has been renewed with the recent discovery of superconductivity at T ∼ 1 K, which may be filamentary in nature. In this work we perform electron spin resonance (ESR) experiments on Gd(3+) doped YIn3 (Y1-xGdxIn3; 0.001 ⪅ x ⩽̸ 0.08), showing that the spin-lattice relaxation of the Gd(3+) ions, due to the exchange interaction between the Gd(3+) localized magnetic moment and the conduction electrons (ce), is processed via the presence of s-, p- and d-type ce at the YIn3 Fermi level. These findings are revealed by the Gd(3+) concentration dependence of the Korringa-like relaxation rate d(ΔH)/dT and g-shift (Δg = g - 1.993), that display bottleneck relaxation behavior for the s-electrons and unbottleneck behavior for the p- and d-electrons. The Korringa-like relaxation rates vary from 22(2) Oe/K for x ⪅ 0.001 to 8(2) Oe/K for x = 0.08 and the g-shift values change, respectively, from a positive Δg = +0.047(10) to a negative Δg = -0.008(4). Analysis in terms of a three-band ce model allows the extraction of the corresponding exchange interaction parameters Jfs, Jfp and Jfd.

  19. Mariner Venus Mercury 1973 S/X-band experiment

    NASA Technical Reports Server (NTRS)

    Levy, G. S.

    1977-01-01

    The S/X-band experiment on the Mariner Venus/Mercury 1973 spacecraft constituted a unique opportunity to demonstrate the capability of an X-band downlink coherent with the normal S-band downlink. This was both a technological and scientific experiment, and the results indicated that it was successful in both cases. Analysis of the tracking data shows that the new S/X data type was capable of reducing the miss distance at the planet Mercury by 80% (post-processed data). The use of S/X electron content was demonstrated by comparison with Faraday rotation data. An X-band turnaround telemetry experiment showed the feasibility of a planetary X-band link. In the science area, the model atmospheric environment of Venus was refined. The ionosphere of the planet was measured to a higher accuracy than before, and the value of the dual-frequency link for measuring the scale size of turbulence was demonstrated. The estimate of the scale size was increased from 100 m to above 5 km.

  20. Nitrogen-related intermediate band in P-rich GaN xP yAs 1-x-y alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zelazna, K.; Gladysiewicz, M.; Polak, M. P.

    The electronic band structure of phosphorus-rich GaN xP yAs 1-x-y alloys (x ~ 0.025 and y ≥ 0.6) is studied experimentally using optical absorption, photomodulated transmission, contactless electroreflectance, and photoluminescence. Here, it is shown that incorporation of a few percent of N atoms has a drastic effect on the electronic structure of the alloys. The change of the electronic band structure is very well described by the band anticrossing (BAC) model in which localized nitrogen states interact with the extended states of the conduction band of GaAsP host. The BAC interaction results in the formation of a narrow intermediate bandmore » (E - band in BAC model) with the minimum at the Γ point of the Brillouin zone resulting in a change of the nature of the fundamental band gap from indirect to direct. The splitting of the conduction band by the BAC interaction is further confirmed by a direct observation of the optical transitions to the E + band using contactless electroreflectance spectroscopy.« less

  1. Nitrogen-related intermediate band in P-rich GaN xP yAs 1-x-y alloys

    DOE PAGES

    Zelazna, K.; Gladysiewicz, M.; Polak, M. P.; ...

    2017-11-16

    The electronic band structure of phosphorus-rich GaN xP yAs 1-x-y alloys (x ~ 0.025 and y ≥ 0.6) is studied experimentally using optical absorption, photomodulated transmission, contactless electroreflectance, and photoluminescence. Here, it is shown that incorporation of a few percent of N atoms has a drastic effect on the electronic structure of the alloys. The change of the electronic band structure is very well described by the band anticrossing (BAC) model in which localized nitrogen states interact with the extended states of the conduction band of GaAsP host. The BAC interaction results in the formation of a narrow intermediate bandmore » (E - band in BAC model) with the minimum at the Γ point of the Brillouin zone resulting in a change of the nature of the fundamental band gap from indirect to direct. The splitting of the conduction band by the BAC interaction is further confirmed by a direct observation of the optical transitions to the E + band using contactless electroreflectance spectroscopy.« less

  2. Modeling Multi-Bunch X-band Photoinjector Challenges

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Marsh, R A; Anderson, S G; Gibson, D J

    An X-band test station is being developed at LLNL to investigate accelerator optimization for future upgrades to mono-energetic gamma-ray technology at LLNL. The test station will consist of a 5.5 cell X-band rf photoinjector, single accelerator section, and beam diagnostics. Of critical import to the functioning of the LLNL X-band system with multiple electron bunches is the performance of the photoinjector. In depth modeling of the Mark 1 LLNL/SLAC X-band rf photoinjector performance will be presented addressing important challenges that must be addressed in order to fabricate a multi-bunch Mark 2 photoinjector. Emittance performance is evaluated under different nominal electronmore » bunch parameters using electrostatic codes such as PARMELA. Wake potential is analyzed using electromagnetic time domain simulations using the ACE3P code T3P. Plans for multi-bunch experiments and implementation of photoinjector advances for the Mark 2 design will also be discussed.« less

  3. Electronic structure of ZrX2 (X = Se, Te)

    NASA Astrophysics Data System (ADS)

    Shkvarin, A. S.; Merentsov, A. I.; Shkvarina, E. G.; Yarmoshenko, Yu. M.; Píš, I.; Nappini, S.; Titov, A. N.

    2018-03-01

    The electronic structure of the ZrX2 (X = Se, Te) compounds has been studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray absorption spectra, and density of electronic states. It was found that the absorption spectra and valence band spectra are influenced by the chalcogen type. The results of the multiplet calculation of the Zr4+ atom show that the change in the splitting in the crystal field, which is described by the 10Dq parameter, is due to the change in the ratio of covalent and ionic contributions to the chemical bond. The resonance band near the Fermi level in the valence band spectra is observed for ZrTe2 in the Zr 3p-4d resonant excitation mode. The extent of photon energy indicates the charge localization on the Zr atom. Similar resonance band for ZrSe2 is absent; it indicates the presence of a gap at the Fermi level.

  4. Zn(x)Cd(1-x)Se nanomultipods with tunable band gaps: synthesis and first-principles calculations.

    PubMed

    Wei, Hao; Su, Yanjie; Han, Ziyi; Li, Tongtong; Ren, Xinglong; Yang, Zhi; Wei, Liangming; Cong, Fengsong; Zhang, Yafei

    2013-06-14

    In this paper, we demonstrate that ZnxCd1-xSe nanomultipods can be synthesized via a facile and nontoxic solution-based method. Interesting aspects of composition, morphology and optical properties were deeply explored. The value of Zn/(Zn+Cd) could be altered across the entire range from 0.08 to 0.86 by varying the ratio of cation precursor contents. The band gap energy could be linearly tuned from 1.88 to 2.48 eV with respect to the value of Zn/(Zn+Cd). The experiment also showed that oleylamine played a dominant role in the formation of multipod structure. A possible growth mechanism was further suggested. First-principles calculations of band gap energy and density of states in the Vienna ab initio simulation package code were performed to verify the experimental variation tendency of the band gap. Computational results indicated that dissimilarities of electronic band structures and orbital constitutions determined the tunable band gap of the as-synthesized nanomultipod, which might be promising for versatile applications in relevant areas of solar cells, biomedicine, sensors, catalysts and so on.

  5. Electronic and optical properties of α-InX (X = S, Se and Te) monolayer: Under strain conditions

    NASA Astrophysics Data System (ADS)

    Jalilian, Jaafar; Safari, Mandana

    2017-04-01

    Using ab initio study, the structural, electronic and optical properties of α-InX (X = S, Se and Te) are investigated under tensile and compressive strain conditions. The results illustrate that exerting biaxial tensile and compressive strain conditions can lead to a tunable energy gap with a linear trend. The shape of valence band maximum (VBM) and conduction band minimum (CBM) is so sensitive to applying tensile and compressive strain. Besides, a shift in optical spectra toward shorter wavelength (blue shift) occurs under compression. The exerting tensile strain, on the other hand, gives rise to a red shift in optical spectra correspondingly. The results have been presented that InX monolayers can be good candidates for optoelectronic applications as well.

  6. Performance of a first generation X-band photoelectron rf gun

    DOE PAGES

    Limborg-Deprey, C.; Adolphsen, C.; McCormick, D.; ...

    2016-05-04

    Building more compact accelerators to deliver high brightness electron beams for the generation of high flux, highly coherent radiation is a priority for the photon science community. A relatively straightforward reduction in footprint can be achieved by using high-gradient X-band (11.4 GHz) rf technology. To this end, an X-band injector consisting of a 5.5 cell rf gun and a 1-m long linac has been commissioned at SLAC. It delivers an 85 MeV electron beam with peak brightness somewhat better than that achieved in S-band photoinjectors, such as the one developed for the Linac Coherent Light Source (LCLS). The X-band rfmore » gun operates with up to a 200 MV/m peak field on the cathode, and has been used to produce bunches of a few pC to 1.2 nC in charge. Notably, bunch lengths as short as 120 fs rms have been measured for charges of 5 pC (~3×10 7 electrons), and normalized transverse emittances as small as 0.22 mm-mrad have been measured for this same charge level. Bunch lengths as short as 400 (250) fs rms have been achieved for electron bunches of 100 (20) pC with transverse normalized emittances of 0.7 (0.35) mm-mrad. As a result, we report on the performance and the lessons learned from the operation and optimization of this first generation X-band gun.« less

  7. Performance of a first generation X-band photoelectron rf gun

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Limborg-Deprey, C.; Adolphsen, C.; McCormick, D.

    Building more compact accelerators to deliver high brightness electron beams for the generation of high flux, highly coherent radiation is a priority for the photon science community. A relatively straightforward reduction in footprint can be achieved by using high-gradient X-band (11.4 GHz) rf technology. To this end, an X-band injector consisting of a 5.5 cell rf gun and a 1-m long linac has been commissioned at SLAC. It delivers an 85 MeV electron beam with peak brightness somewhat better than that achieved in S-band photoinjectors, such as the one developed for the Linac Coherent Light Source (LCLS). The X-band rfmore » gun operates with up to a 200 MV/m peak field on the cathode, and has been used to produce bunches of a few pC to 1.2 nC in charge. Notably, bunch lengths as short as 120 fs rms have been measured for charges of 5 pC (~3×10 7 electrons), and normalized transverse emittances as small as 0.22 mm-mrad have been measured for this same charge level. Bunch lengths as short as 400 (250) fs rms have been achieved for electron bunches of 100 (20) pC with transverse normalized emittances of 0.7 (0.35) mm-mrad. As a result, we report on the performance and the lessons learned from the operation and optimization of this first generation X-band gun.« less

  8. Electronic band structure effects in the stopping of protons in copper [Electronic band structure non-linear effects in the stopping of protons in copper

    DOE PAGES

    Quashie, Edwin E.; Saha, Bidhan C.; Correa, Alfredo A.

    2016-10-05

    Here, we present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities v = 0.02–10a.u. where we take into account nonlinear effects. Time-dependent density functional theory coupled with molecular dynamics is used to study electronic excitations produced by energetic protons. A plane-wave pseudopotential scheme is employed to solve the time-dependent Kohn-Sham equations for a moving ion in a periodic crystal. The electronic excitations and the band structure determine the stopping power of the material and alter the interatomic forces for both channeling and off-channeling trajectories. Our off-channeling results aremore » in quantitative agreement with experiments, and at low velocity they unveil a crossover region of superlinear velocity dependence (with a power of ~1.5) in the velocity range v = 0.07–0.3a.u., which we associate to the copper crystalline electronic band structure. The results are rationalized by simple band models connecting two separate regimes. We find that the limit of electronic stopping v → 0 is not as simple as phenomenological models suggest and it is plagued by band-structure effects.« less

  9. Terahertz-driven linear electron acceleration

    PubMed Central

    Nanni, Emilio A.; Huang, Wenqian R.; Hong, Kyung-Han; Ravi, Koustuban; Fallahi, Arya; Moriena, Gustavo; Dwayne Miller, R. J.; Kärtner, Franz X.

    2015-01-01

    The cost, size and availability of electron accelerators are dominated by the achievable accelerating gradient. Conventional high-brightness radio-frequency accelerating structures operate with 30–50 MeV m−1 gradients. Electron accelerators driven with optical or infrared sources have demonstrated accelerating gradients orders of magnitude above that achievable with conventional radio-frequency structures. However, laser-driven wakefield accelerators require intense femtosecond sources and direct laser-driven accelerators suffer from low bunch charge, sub-micron tolerances and sub-femtosecond timing requirements due to the short wavelength of operation. Here we demonstrate linear acceleration of electrons with keV energy gain using optically generated terahertz pulses. Terahertz-driven accelerating structures enable high-gradient electron/proton accelerators with simple accelerating structures, high repetition rates and significant charge per bunch. These ultra-compact terahertz accelerators with extremely short electron bunches hold great potential to have a transformative impact for free electron lasers, linear colliders, ultrafast electron diffraction, X-ray science and medical therapy with X-rays and electron beams. PMID:26439410

  10. Terahertz-driven linear electron acceleration

    DOE PAGES

    Nanni, Emilio A.; Huang, Wenqian R.; Hong, Kyung-Han; ...

    2015-10-06

    The cost, size and availability of electron accelerators are dominated by the achievable accelerating gradient. Conventional high-brightness radio-frequency accelerating structures operate with 30–50 MeVm -1 gradients. Electron accelerators driven with optical or infrared sources have demonstrated accelerating gradients orders of magnitude above that achievable with conventional radio-frequency structures. However, laser-driven wakefield accelerators require intense femtosecond sources and direct laser-driven accelerators suffer from low bunch charge, sub-micron tolerances and sub-femtosecond timing requirements due to the short wavelength of operation. Here we demonstrate linear acceleration of electrons with keV energy gain using optically generated terahertz pulses. Terahertz-driven accelerating structures enable high-gradient electron/protonmore » accelerators with simple accelerating structures, high repetition rates and significant charge per bunch. As a result, these ultra-compact terahertz accelerators with extremely short electron bunches hold great potential to have a transformative impact for free electron lasers, linear colliders, ultrafast electron diffraction, X-ray science and medical therapy with X-rays and electron beams.« less

  11. Beam Measurement of 11.424 GHz X-Band Linac for Compton Scattering X-ray Source

    NASA Astrophysics Data System (ADS)

    Natsui, Takuya; Mori, Azusa; Masuda, Hirotoshi; Uesaka, Mitsuru; Sakamoto, Fumito

    2010-11-01

    An inverse Compton scattering X-ray source for medical applications, consisting of an X-band (11.424 GHz) linac and Q-switched Nd:YAG laser, is currently being developed at the University of Tokyo. This system uses an X-band 3.5-cell thermionic cathode RF gun for electron beam generation. We can obtain a multi-bunch electron beam with this gun. The beam is accelerated to 30 MeV by a traveling-wave accelerating tube. So far, we have verified stable beam generation (around 2.3 MeV) by using the newly designed RF gun and we have succeeded in beam transportation to a beam dump.

  12. AB INITIO STUDY OF STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF MgxCd1-xX (X = S, Se, Te) ALLOYS

    NASA Astrophysics Data System (ADS)

    Noor, N. A.; Shaukat, A.

    2012-12-01

    This study describes structural, electronic and optical properties of MgxCd1-xX (X = S, Se, Te) alloys in the complete range 0≤x ≤1 of composition x in the zinc-blende (ZB) phase with the help of full-potential linearized augmented plane wave plus local orbitals (FP-LAPW+lo) method within density functional theory (DFT). In order to calculate total energy, generalized gradient approximation (Wu-Cohen GGA) has been applied, which is based on optimization energy. For electronic structure calculations, the corresponding potential is being optimized by Engel-Vosko GGA formalism. Our calculations reveal the nonlinear variation of lattice constant and bulk modulus with different concentration for the end binary and their ternary alloys, which slightly deviates from Vegard's law. The calculated band structures show a direct band gap for all three alloys with increasing order in the complete range of the compositional parameter x. In addition, we have discussed the disorder parameter (gap bowing) and concluded that the total band gap bowing is substantially influenced by the chemical (electronegativity) contribution. The calculated density of states (DOS) of these alloys is discussed in terms of contribution from various s-, p- and d-states of the constituent atoms and charge density distributions plots are analyzed. Optical properties have been presented in the form of the complex dielectric function ɛ(ω), refractive index n(ω) and extinction coefficient k(ω) as function of the incident photon energy, and the results have been compared with existing experimental data and other theoretical calculations.

  13. Electronic response of rare-earth magnetic-refrigeration compounds GdX2 (X = Fe and Co)

    NASA Astrophysics Data System (ADS)

    Bhatt, Samir; Ahuja, Ushma; Kumar, Kishor; Heda, N. L.

    2018-05-01

    We present the Compton profiles (CPs) of rare-earth-transition metal compounds GdX2 (X = Fe and Co) using 740 GBq 137Cs Compton spectrometer. To compare the experimental momentum densities, we have also computed the CPs, electronic band structure, density of states (DOS) and Mulliken population (MP) using linear combination of atomic orbitals (LCAO) method. Local density and generalized gradient approximations within density functional theory (DFT) along with the hybridization of Hartree-Fock and DFT (B3LYP and PBE0) have been considered under the framework of LCAO scheme. It is seen that the LCAO-B3LYP based momentum densities give a better agreement with the experimental data for both the compounds. The energy bands and DOS for both the spin-up and spin-down states show metallic like character of the reported intermetallic compounds. The localization of 3d electrons of Co and Fe has also been discussed in terms of equally normalized CPs and MP data. Discussion on magnetization using LCAO method is also included.

  14. Development of a dual-pulse RF driver for an S-band (= 2856 MHz) RF electron linear accelerator

    NASA Astrophysics Data System (ADS)

    Cha, Sungsu; Kim, Yujong; Lee, Byeong-No; Lee, Byung Cheol; Cha, Hyungki; Ha, Jang Ho; Park, Hyung Dal; Lee, Seung Hyun; Kim, Hui Su; Buaphad, Pikad

    2016-04-01

    The radiation equipment research division of Korea Atomic Energy Research Institute has developed a Container Inspection System (CIS) using a Radio Frequency (RF) electron linear accelerator for port security. The primary purpose of the CIS is to detect nuclear materials and explosives, as well country-specific prohibited substances, e.g., smuggled. The CIS consists of a 9/6 MeV dualenergy electron linear accelerator for distinguishing between organic and inorganic materials. The accelerator consists of an electron gun, an RF accelerating structure, an RF driver, a modulator, electromagnets, a cooling system, a X-ray generating target, X-ray collimator, a detector, and a container moving system. The RF driver is an important part of the configuration because it is the RF power source: it supplies the RF power to the accelerating structure. A unique aspect of the RF driver is that it generates dual RF power to generate dual energy (9/6 MeV). The advantage of this RF driver is that it can allow the pulse width to vary and can be used to obtain a wide range of energy output, and pulse repetition rates up to 300 Hz. For this reason, 140 W (5 MW - 9 MeV) and 37 W (3.4 MW - 6 MeV) power outputs are available independently. A high power test for 20 minutes demonstrate that stable dual output powers can be generated. Moreover, the dual power can be applied to the accelerator which has stable accelerator operation. In this paper, the design, fabrication and high power test of the RF driver for the RF electron linear accelerator (linac) are presented.

  15. Thermopower analysis of the electronic structure around the metal-insulator transition in V1-xWxO2

    NASA Astrophysics Data System (ADS)

    Katase, Takayoshi; Endo, Kenji; Ohta, Hiromichi

    2014-10-01

    The electronic structure across the metal-insulator (MI) transition of electron-doped V1-xWxO2 epitaxial films (x =0-0.06) grown on α-Al2O3 substrates was studied by means of thermopower (S) measurements. Significant increase of |S | values accompanied by MI transition was observed, and the transition temperatures of S (TS) decreased with x in a good linear relation with MI transition temperatures. |S| values of V1-xWxO2 films at T>TS were constant at low values of 23μVK-1 independently of x, which reflects a metallic electronic structure, whereas those at Tlinearly decreased with logarithmic W concentrations. The gradient of -213μVK-1 agrees well with -kB/eln10(-198μVK-1), suggesting that V1-xWxO2 films have insulating electronic structures with a parabolic density of state around the conduction band bottom.

  16. Electronic structures of of PuX (X=S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Maehira, Takahiro; Sakai, Eijiro; Tatetsu, Yasutomi

    2013-08-01

    We have calculated the energy band structures and the Fermi surfaces of PuS, PuSe, and PuTe by using a self-consistent relativistic linear augmented-plane-wave method with the exchange and correlation potential in the local density approximation. In general, the energy bands near the Fermi level are mainly caused by the hybridization between the Pu 5 f and the monochalcogenide p electrons. The obtained main Fermi surfaces consisted of two hole sheets and one electron sheet, which were constructed from the band having both the Pu 5 f state and the monochalcogenide p state.

  17. First principles study on structural, electronic and optical properties of Ga1-xBxP ternary alloys (x = 0, 0.25, 0.5, 0.75 and 1)

    NASA Astrophysics Data System (ADS)

    Hoat, D. M.; Rivas Silva, J. F.; Méndez Blas, A.

    2018-07-01

    The structural, electronic and optical properties of GaP, BP binary compounds and their ternary alloys Ga1-xBxP (x = 0.25, 0.5 and 0.75) have been studied by full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) as implemented in WIEN2k package. Local density approximation (LDA) and generalized gradient approximation (GGA) as proposed by Perdew-Burke-Ernzerhof (PBE), Wu-Cohen (WC) and PBE for solid (PBESol) were used for treatment of exchange-correlation effect in calculations. Additionally, the Tran-Blaha modified Becke-Johnson (mBJ) potential was also employed for electronic and optical calculations due to that it gives very accurate band gap of solids. As B concentration increases, the lattice constant reduces and the energy band gap firstly decreases for small composition x and then it shows increasing trend until pure BP. Our results show that the indirect-direct band gap transition can be reached from x = 0.33. The linear optical properties, such as reflectivity, absorption coefficient, refractive index and optical conductivity of binary compounds and ternary alloys were derived from their calculated complex dielectric function in wide energy range up to 30 eV, and the alloying effect on these properties was also analyzed in detail.

  18. Band gap bowing in NixMg1−xO

    PubMed Central

    Niedermeier, Christian A.; Råsander, Mikael; Rhode, Sneha; Kachkanov, Vyacheslav; Zou, Bin; Alford, Neil; Moram, Michelle A.

    2016-01-01

    Epitaxial transparent oxide NixMg1−xO (0 ≤ x ≤ 1) thin films were grown on MgO(100) substrates by pulsed laser deposition. High-resolution synchrotron X-ray diffraction and high-resolution transmission electron microscopy analysis indicate that the thin films are compositionally and structurally homogeneous, forming a completely miscible solid solution. Nevertheless, the composition dependence of the NixMg1−xO optical band gap shows a strong non-parabolic bowing with a discontinuity at dilute NiO concentrations of x < 0.037. Density functional calculations of the NixMg1−xO band structure and the density of states demonstrate that deep Ni 3d levels are introduced into the MgO band gap, which significantly reduce the fundamental gap as confirmed by optical absorption spectra. These states broaden into a Ni 3d-derived conduction band for x > 0.074 and account for the anomalously large band gap narrowing in the NixMg1−xO solid solution system. PMID:27503808

  19. Ab initio calculations of the structural, electronic, thermodynamic and thermal properties of BaSe1-x Te x alloys

    NASA Astrophysics Data System (ADS)

    Drablia, S.; Boukhris, N.; Boulechfar, R.; Meradji, H.; Ghemid, S.; Ahmed, R.; Omran, S. Bin; El Haj Hassan, F.; Khenata, R.

    2017-10-01

    The alkaline earth metal chalcogenides are being intensively investigated because of their advanced technological applications, for example in photoluminescent devices. In this study, the structural, electronic, thermodynamic and thermal properties of the BaSe1-x Te x alloys at alloying composition x = 0, 0.25, 0.50, 0.75 and 1 are investigated. The full potential linearized augmented plane wave plus local orbital method designed within the density functional theory was used to perform the total energy calculations. In this research work the effect of the composition on the results of the parameters and bulk modulus as well as on the band gap energy is analyzed. From our results, we found a deviation of the obtained results for the lattice constants from Vegard’s law as well as a deviation of the value of the bulk modulus from the linear concentration dependence. We also carried out a microscopic analysis of the origin of the band gap energy bowing parameter. Furthermore, the thermodynamic stability of the considered alloys was explored through the measurement of the miscibility critical temperature. The quasi-harmonic Debye model, as implemented in the Gibbs code, was used to predict the thermal properties of the BaSe1-x Te x alloys, and these investigations comprise our first theoretical predictions concerning the BaSe1-x Te x alloys.

  20. Electronic structure and optical properties of iron based chalcogenide FeX2 (X = S, Se, Te) for photovoltaic applications: a first principle study

    NASA Astrophysics Data System (ADS)

    Ghosh, Anima; Thangavel, R.

    2017-11-01

    In present work, the electronic structure and optical properties of the FeX2 (X = S, Se, Te) compounds have been evaluated by the density functional theory based on the scalar-relativistic full potential linear augmented plane wave method via Wien2K. From the total energy calculations, it has been found that all the compounds have direct band nature, which determined by iron 3 d states at valance band edge and anion p dominated at conduction band at Γ-point and the fundamental band gap between the valence band and conduction band are estimated 1.40, 1.02 and 0.88 eV respectively with scissor correction for FeS2, FeSe2 and FeTe2 which are close to the experimental values. The optical properties such as dielectric tensor components and the absorption coefficient of these materials are determined in order to investigate their usefulness in photovoltaic applications.

  1. Tunneling calculations for GaAs-Al(x)Ga(1-x)As graded band-gap sawtooth superlattices

    NASA Technical Reports Server (NTRS)

    Forrest, Kathrine; Meijer, Paul H. E.

    1990-01-01

    The transmission resonance spectra and tunneling current-voltage characteristics for direct conduction band electrons in sawtooth GaAs-Al(x)Ga(1-x)As superlattices are computed. Only direct-gap interfaces are considered. It is found that sawtooth superlattices exhibit resonant tunneling similar to that in step superlattices, manifested by correlation of peaks and regions of negative differential resistance in the current-voltage curves with transmission resonances. The Stark shift of the resonances of step-barrier superlattices is a linear function of the field, whereas in sawtooth superlattices under strong fields the shift is not a simple function of the field. This follows from the different ways in which the two structures deform under uniform electric fields: the sawtooth deforms into a staircase, at which field strength all barriers to tunneling are eradicated. The step-barrier superlattice always presents some barrier to tunneling, no matter how high the electric field strength.

  2. Model Development for MODIS Thermal Band Electronic Crosstalk

    NASA Technical Reports Server (NTRS)

    Chang, Tiejun; Wu, Aisheng; Geng, Xu; Li, Yonghonh; Brinkman, Jake; Keller, Graziela; Xiong, Xiaoxiong

    2016-01-01

    MODerate-resolution Imaging Spectroradiometer (MODIS) has 36 bands. Among them, 16 thermal emissive bands covering a wavelength range from 3.8 to 14.4 m. After 16 years on-orbit operation, the electronic crosstalk of a few Terra MODIS thermal emissive bands developed substantial issues that cause biases in the EV brightness temperature measurements and surface feature contamination. The crosstalk effects on band 27 with center wavelength at 6.7 m and band 29 at 8.5 m increased significantly in recent years, affecting downstream products such as water vapor and cloud mask. The crosstalk effect is evident in the near-monthly scheduled lunar measurements, from which the crosstalk coefficients can be derived. The development of an alternative approach is very helpful for independent verification.In this work, a physical model was developed to assess the crosstalk impact on calibration as well as in Earth view brightness temperature retrieval. This model was applied to Terra MODIS band 29 empirically to correct the Earth brightness temperature measurements. In the model development, the detectors nonlinear response is considered. The impact of the electronic crosstalk is assessed in two steps. The first step consists of determining the impact on calibration using the on-board blackbody (BB). Due to the detectors nonlinear response and large background signal, both linear and nonlinear coefficients are affected by the crosstalk from sending bands. The second step is to calculate the effects on the Earth view brightness temperature retrieval. The effects include those from affected calibration coefficients and the contamination of Earth view measurements. This model links the measurement bias with crosstalk coefficients, detector non-linearity, and the ratio of Earth measurements between the sending and receiving bands. The correction of the electronic cross talk can be implemented empirically from the processed bias at different brightness temperature. The implementation

  3. Hybrid functional study of band structures of GaAs1-xNx and GaSb1-xNx alloys

    NASA Astrophysics Data System (ADS)

    Virkkala, Ville; Havu, Ville; Tuomisto, Filip; Puska, Martti J.

    2012-02-01

    Band structures of GaAs1-xNx and GaSb1-xNx alloys are studied in the framework of the density functional theory within the hybrid functional scheme (HSE06). We find that the scheme gives a clear improvement over the traditional (semi)local functionals in describing, in a qualitative agreement with experiments, the bowing of electron energy band gap in GaAs1-xNx alloys. In the case of GaSb1-xNx alloys, the hybrid functional used makes the study of band structures possible ab initio without any empirical parameter fitting. We explain the trends in the band gap reductions in the two materials that result mainly from the positions of the nitrogen-induced states with respect to the bottoms of the bulk conduction bands.

  4. Electronic properties and bonding in Zr Hx thin films investigated by valence-band x-ray photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Magnuson, Martin; Schmidt, Susann; Hultman, Lars; Högberg, Hans

    2017-11-01

    The electronic structure and chemical bonding in reactively magnetron sputtered Zr Hx (x =0.15 , 0.30, 1.16) thin films with oxygen content as low as 0.2 at.% are investigated by 4d valence band, shallow 4p core-level, and 3d core-level x-ray photoelectron spectroscopy. With increasing hydrogen content, we observe significant reduction of the 4d valence states close to the Fermi level as a result of redistribution of intensity toward the H 1s-Zr 4d hybridization region at ˜6 eV below the Fermi level. For low hydrogen content (x =0.15 , 0.30), the films consist of a superposition of hexagonal closest-packed metal (α phase) and understoichiometric δ -Zr Hx (Ca F2 -type structure) phases, while for x =1.16 , the films form single-phase Zr Hx that largely resembles that of stoichiometric δ -Zr H2 phase. We show that the cubic δ -Zr Hx phase is metastable as thin film up to x =1.16 , while for higher H contents the structure is predicted to be tetragonally distorted. For the investigated Zr H1.16 film, we find chemical shifts of 0.68 and 0.51 eV toward higher binding energies for the Zr 4 p3 /2 and 3 d5 /2 peak positions, respectively. Compared to the Zr metal binding energies of 27.26 and 178.87 eV, this signifies a charge transfer from Zr to H atoms. The change in the electronic structure, spectral line shapes, and chemical shifts as a function of hydrogen content is discussed in relation to the charge transfer from Zr to H that affects the conductivity by charge redistribution in the valence band.

  5. Time-Resolved IR-Absorption Spectroscopy of Hot-Electron Dynamics in Satellite and Upper Conduction Bands in GaP

    NASA Technical Reports Server (NTRS)

    Cavicchia, M. A.; Alfano, R. R.

    1995-01-01

    The relaxation dynamics of hot electrons in the X6 and X7 satellite and upper conduction bands in GaP was directly measured by femtosecond UV-pump-IR-probe absorption spectroscopy. From a fit to the induced IR-absorption spectra the dominant scattering mechanism giving rise to the absorption at early delay times was determined to be intervalley scattering of electrons out of the X7 upper conduction-band valley. For long delay times the dominant scattering mechanism is electron-hole scattering. Electron transport dynamics of the upper conduction band of GaP has been time resolved.

  6. Interacting quasi-band theory for electronic states in compound semiconductor alloys: Wurtzite structure

    NASA Astrophysics Data System (ADS)

    Kishi, Ayaka; Oda, Masato; Shinozuka, Yuzo

    2016-05-01

    This paper reports on the electronic states of compound semiconductor alloys of wurtzite structure calculated by the recently proposed interacting quasi-band (IQB) theory combined with empirical sp3 tight-binding models. Solving derived quasi-Hamiltonian 24 × 24 matrix that is characterized by the crystal parameters of the constituents facilitates the calculation of the conduction and valence bands of wurtzite alloys for arbitrary concentrations under a unified scheme. The theory is applied to III-V and II-VI wurtzite alloys: cation-substituted Al1- x Ga x N and Ga1- x In x N and anion-substituted CdS1- x Se x and ZnO1- x S x . The obtained results agree well with the experimental data, and are discussed in terms of mutual mixing between the quasi-localized states (QLS) and quasi-average bands (QAB): the latter bands are approximately given by the virtual crystal approximation (VCA). The changes in the valence and conduction bands, and the origin of the band gap bowing are discussed on the basis of mixing character.

  7. First principles calculations of electronic structure and magnetic properties of Cr-based magnetic semiconductors Al{sub 1-x}Cr{sub x}X (X=N, P, As, Sb)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Saeed, Y., E-mail: yasir_saeed54321@yahoo.co; Shaukat, A., E-mail: schaukat@gmail.co; Nazir, S., E-mail: nazirsafdar@gmail.co

    2010-01-15

    First principles calculations based on the density functional theory (DFT) within the local spin density approximation are performed to investigate the electronic structure and magnetic properties of Cr-based zinc blende diluted magnetic semiconductors Al{sub 1-x}Cr{sub x}X (X=N, P, As, Sb) for 0<=x<=0.50.The behaviour of magnetic moment of Al{sub 1-x}Cr{sub x}X at each Cr site as well as the change in the band gap value due to spin down electrons has been studied by increasing the concentration of Cr atom and through changing X from N to Sb. Furthermore, the role of p-d hybridization is analyzed in the electronic band structuremore » and exchange splitting of d-dominated bands. The interaction strength is stronger in Al{sub 1-x}Cr{sub x}N and becomes weaker in Al{sub 1-x}Cr{sub x}Sb. The band gap due to the spin down electrons decreases with the increased concentration of Cr in Al{sub 1-x}Cr{sub x}X, and as one moves down along the isoelectronic series in the group V from N to Sb. Our calculations also verify the half-metallic ferromagnetic character in Cr doped AlX. - Graphical abstract: The prototype structures of Cr doped AlX (X=N, P, As, Sb) compounds: (A) zinc blende AlP for x=0, (B) Cr{sub 1}Al{sub 7}P{sub 8} for x=0.125, (C) Cr{sub 1}Al{sub 3}P{sub 4} for x=0.25, (D) Cr{sub 1}Al{sub 1}P{sub 2} for x=0.5.« less

  8. Block 3 X-band receiver-exciter

    NASA Technical Reports Server (NTRS)

    Johns, C. E.

    1987-01-01

    The development of an X-band exciter, for use in the X-Band Uplink Subsystem, was completed. The exciter generates the drive signal for the X-band transmitter and also generates coherent test signals for the S- and X-band Block 3 translator and a Doppler reference signal for the Doppler extractor system. In addition to the above, the exciter generates other reference signals that are described. Also presented is an overview of the exciter design and some test data taken on the prototype. A brief discussion of the Block 3 Doppler extractor is presented.

  9. Highly mismatched GaN1-x Sb x alloys: synthesis, structure and electronic properties

    NASA Astrophysics Data System (ADS)

    Yu, K. M.; Sarney, W. L.; Novikov, S. V.; Segercrantz, N.; Ting, M.; Shaw, M.; Svensson, S. P.; Martin, R. W.; Walukiewicz, W.; Foxon, C. T.

    2016-08-01

    Highly mismatched alloys (HMAs) is a class of semiconductor alloys whose constituents are distinctly different in terms of size, ionicity and/or electronegativity. Electronic properties of the alloys deviate significantly from an interpolation scheme based on small deviations from the virtual crystal approximation. Most of the HMAs were only studied in a dilute composition limit. Recent advances in understanding of the semiconductor synthesis processes allowed growth of thin films of HMAs under non-equilibrium conditions. Thus reducing the growth temperature allowed synthesis of group III-N-V HMAs over almost the entire composition range. This paper focuses on the GaN x Sb1-x HMA which has been suggested as a potential material for solar water dissociation devices. Here we review our recent work on the synthesis, structural and optical characterization of GaN1-x Sb x HMA. Theoretical modeling studies on its electronic structure based on the band anticrossing (BAC) model are also reviewed. In particular we discuss the effects of growth temperature, Ga flux and Sb flux on the incorporation of Sb, film microstructure and optical properties of the alloys. Results obtained from two separate MBE growths are directly compared. Our work demonstrates that a large range of direct bandgap energies from 3.4 eV to below 1.0 eV can be achieved for this alloy grown at low temperature. We show that the electronic band structure of GaN1-x Sb x HMA over the entire composition range is well described by a modified BAC model which includes the dependence of the host matrix band edges as well as the BAC model coupling parameters on composition. We emphasize that the modified BAC model of the electronic band structure developed for the full composition of GaN x Sb1-x is general and is applicable to any HMA.

  10. X-Band Rapid-Scan Electron Paramagnetic Resonance of Radiation-Induced Defects in Tooth Enamel

    PubMed Central

    Yu, Zhelin; Romanyukha, Alexander; Eaton, Sandra S.; Eaton, Gareth R.

    2015-01-01

    X-band rapid-scan electron paramagnetic resonance (EPR) spectra from tooth enamel samples irradiated with doses of 0.5, 1 and 10 Gy had substantially improved signal-to-noise relative to conventional continuous wave EPR. The radiation-induced signal in 60 mg of a tooth enamel sample irradiated with a 0.5 Gy dose was readily characterized in spectra recorded with 34 min data acquisition times. The coefficient of variance of the calculated dose for a 1 Gy irradiated sample, based on simulation of the first-derivative spectra for three replicates as the sum of native and radiation-induced signals, was 3.9% for continuous wave and 0.4% for rapid scan. PMID:26207683

  11. Band-gap tuning and optical response of two-dimensional Si x C 1 - x : A first-principles real-space study of disordered two-dimensional materials

    DOE PAGES

    Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda; ...

    2017-08-09

    We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen–Baerends corrected exchange potential. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene Si xC 1–x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussedmore » in the light of the available experimental and other theoretical data. As a result, our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.« less

  12. Band-gap tuning and optical response of two-dimensional Si x C 1 - x : A first-principles real-space study of disordered two-dimensional materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda

    We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen–Baerends corrected exchange potential. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene Si xC 1–x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussedmore » in the light of the available experimental and other theoretical data. As a result, our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.« less

  13. Linear and Nonlinear Optical Properties of Spherical Quantum Dots: Effects of Hydrogenic Impurity and Conduction Band Non-Parabolicity

    NASA Astrophysics Data System (ADS)

    Rezaei, G.; Vaseghi, B.; Doostimotlagh, N. A.

    2012-03-01

    Simultaneous effects of an on-center hydrogenic impurity and band edge non-parabolicity on intersubband optical absorption coefficients and refractive index changes of a typical GaAs/AlxGa1-x As spherical quantum dot are theoretically investigated, using the Luttinger—Kohn effective mass equation. So, electronic structure and optical properties of the system are studied by means of the matrix diagonalization technique and compact density matrix approach, respectively. Finally, effects of an impurity, band edge non-parabolicity, incident light intensity and the dot size on the linear, the third-order nonlinear and the total optical absorption coefficients and refractive index changes are investigated. Our results indicate that, the magnitudes of these optical quantities increase and their peaks shift to higher energies as the influences of the impurity and the band edge non-parabolicity are considered. Moreover, incident light intensity and the dot size have considerable effects on the optical absorption coefficients and refractive index changes.

  14. An 'X-banded' Tidbinbilla interferometer

    NASA Technical Reports Server (NTRS)

    Batty, Michael J.; Gardyne, R. G.; Gay, G. J.; Jauncy, David L.; Gulkis, S.; Kirk, A.

    1986-01-01

    The recent upgrading of the Tidbinbilla two-element interferometer to simultaneous S-band (2.3 GHz) and X-band (8.4 GHz) operation has provided a powerful new astronomical facility for weak radio source measurement in the Southern Hemisphere. The new X-band system has a minimum fringe spacing of 38 arcsec, and about the same positional measurement capability (approximately 2 arcsec) and sensitivity (1 s rms noise of 10 mJy) as the previous S-band system. However, the far lower confusion limit will allow detection and accurate positional measurements for sources as weak as a few millijanskys. This capability will be invaluable for observations of radio stars, X-ray sources and other weak, compact radio sources.

  15. Tunable band gap in Bi(Fe1-xMnx)O3 films

    NASA Astrophysics Data System (ADS)

    Xu, X. S.; Ihlefeld, J. F.; Lee, J. H.; Ezekoye, O. K.; Vlahos, E.; Ramesh, R.; Gopalan, V.; Pan, X. Q.; Schlom, D. G.; Musfeldt, J. L.

    2010-05-01

    In order to investigate band gap tunability in polar oxides, we measured the optical properties of a series of Bi(Fe1-xMnx)O3 thin films. The absorption response of the mixed metal solid solutions is approximately a linear combination of the characteristics of the two end members, a result that demonstrates straightforward band gap tunability in this system.

  16. Chemical trends of the luminescence in wide band gap II 1-xMn xVI semimagnetic semiconductors

    NASA Astrophysics Data System (ADS)

    Benecke, C.; Busse, W.; Gumlich, H.-E.

    1990-04-01

    Time resolved emission and excitation spectroscopy is used to investigate the Mn correlated luminescence in wide band gap II-VI compounds, i.e. Zn 1-xMn xS, Cd 1-xMn xSe, Zn 1-xMn xTe and Cd 1-xMn xTe. Additional Information has been obtained with CdxZnyMnzTe( x+ y+ z=1) in checking the luminescence by variation of the ratio of the cations Cd and Zn. Generally speaking, at least two distinct emissions bands can be observed for each II 1- xMn xVI compound. One emissions band is attributed to the internal transition 4T 1(G)→ 6A 1(S) of the 3d 5 electron of the Mn 2+ on regular metal sites with energies of about ≈2 eV. The other emission band is found to occur in the near infrared range of about ≈1.3 eV. This emission band is tentatively interpreted as a transition of Mn 2+ ions on interstitial sites or in small Mn chalcogenide clusters, both interpretations assuming cubic symmetry. This model is supported by the existence of low energy excitation bands and by the great similarity of the shape of the two emission bands which lead to comparable Huang-Rhys factors and effective phonon energies. Also the established trend in the experimental data of the II-VI compounds under consideration confirm this interpretation. For both the IR and the yellow Mn 2+ center, the Racah parameters B and C and the crystal field parameter Dq are determined on the basis of experimental data. As a result, the energy of both the emission and the excitation bands is predominantly determined by the sorrounding anions. These bands shift to higher energies when the anions are changed in the fixed order: Te→Se→S. Regularly, there is also a spectral shift when Zn is replaced by Cd, which is smaller than the shift due to the variation of onions.

  17. Intrinsic Carrier Concentration and Electron Effective Mass in Hg(1-x) Zn(x) Te

    NASA Technical Reports Server (NTRS)

    Sha, Yi-Gao; Su, Ching-Hua; Lehoczky, S. L.

    1997-01-01

    In this work, the intrinsic carrier concentration and electron effective mass in Hg(l-x)Zn(x)Te were numerically calculated. We adopt the procedures similar to those used by Su et. al. for calculating intrinsic carrier concentrations in Hg(1-x)Cd(x)Te which solve the exact dispersion relation in Kane model for the calculation of the conduction band electron concentrations and the corresponding electron effective masses. No approximation beyond those inherent in the k centered dot p model was used here.

  18. Design of 6 MeV X-band electron linac for dual-head gantry radiotherapy system

    NASA Astrophysics Data System (ADS)

    Shin, Seung-wook; Lee, Seung-Hyun; Lee, Jong-Chul; Kim, Huisu; Ha, Donghyup; Ghergherehchi, Mitra; Chai, Jongseo; Lee, Byung-no; Chae, Moonsik

    2017-12-01

    A compact 6 MeV electron linac is being developed at Sungkyunkwan University, in collaboration with the Korea atomic energy research institute (KAERI). The linac will be used as an X-ray source for a dual-head gantry radiotherapy system. X-band technology has been employed to satisfy the size requirement of the dual-head gantry radiotherapy machine. Among the several options available, we selected a pi/2-mode, standing-wave, side-coupled cavity. This choice of radiofrequency (RF) cavity design is intended to enhance the shunt impedance of each cavity in the linac. An optimum structure of the RF cavity with a high-performance design was determined by applying a genetic algorithm during the optimization procedure. This paper describes the detailed design process for a single normal RF cavity and the entire structure, including the RF power coupler and coupling cavity, as well as the beam dynamics results.

  19. Band-gap engineering of La1-x Nd x AlO3 (x = 0, 0.25, 0.50, 0.75, 1) perovskite using density functional theory: A modified Becke Johnson potential study

    NASA Astrophysics Data System (ADS)

    Sandeep; D, P. Rai; A, Shankar; M, P. Ghimire; Anup Pradhan, Sakhya; T, P. Sinha; R, Khenata; S, Bin Omran; R, K. Thapa

    2016-06-01

    The structural, electronic, and magnetic properties of the Nd-doped Rare earth aluminate, La1-x Nd x AlO3 (x = 0% to 100%) alloys are studied using the full potential linearized augmented plane wave (FP-LAPW) method within the density functional theory. The effects of the Nd substitution in LaAlO3 are studied using the supercell calculations. The computed electronic structure with the modified Becke-Johnson (mBJ) potential based approximation indicates that the La1-x Nd x AlO3 alloys may possess half-metallic (HM) behaviors when doped with Nd of a finite density of states at the Fermi level (E F). The direct and indirect band gaps are studied each as a function of x which is the concentration of Nd-doped LaAlO3. The calculated magnetic moments in the La1-x Nd x AlO3 alloys are found to arise mainly from the Nd-4f state. A probable half-metallic nature is suggested for each of these systems with supportive integral magnetic moments and highly spin-polarized electronic structures in these doped systems at E F. The observed decrease of the band gap with the increase in the concentration of Nd doping in LaAlO3 is a suitable technique for harnessing useful spintronic and magnetic devices. Project supported by the DST-SERB, Dy (Grant No. SERB/3586/2013-14), the UGCBSR, FRPS (Grant No. F.30-52/2014), the UGC (New Delhi, India) Inspire Fellowship DST (India), and the Deanship of Scientific Research at King Saud University (Grant No. RPG-VPP-088). M P Ghimire thanks the Alexander von Humboldt Foundation, Germany for the financial support.

  20. X-Band CubeSat Communication System Demonstration

    NASA Technical Reports Server (NTRS)

    Altunc, Serhat; Kegege, Obadiah; Bundick, Steve; Shaw, Harry; Schaire, Scott; Bussey, George; Crum, Gary; Burke, Jacob C.; Palo, Scott; O'Conor, Darren

    2015-01-01

    Today's CubeSats mostly operate their communications at UHF- and S-band frequencies. UHF band is presently crowded, thus downlink communications are at lower data rates due to bandwidth limitations and are unreliable due to interference. This research presents an end-to-end robust, innovative, compact, efficient and low cost S-band uplink and X-band downlink CubeSat communication system demonstration between a balloon and a Near Earth Network (NEN) ground system. Since communication systems serve as umbilical cords for space missions, demonstration of this X-band communication system is critical for successfully supporting current and future CubeSat communication needs. This research has three main objectives. The first objective is to design, simulate, and test a CubeSat S- and X-band communication system. Satellite Tool Kit (STK) dynamic link budget calculations and HFSS Simulations and modeling results have been used to trade the merit of various designs for small satellite applications. S- and X-band antennas have been tested in the compact antenna test range at Goddard Space Flight Center (GSFC) to gather radiation pattern data. The second objective is simulate and test a CubeSat compatible X-band communication system at 12.5Mbps including S-band antennas, X-band antennas, Laboratory for Atmospheric and Space Physics (LASP) /GSFC transmitter and an S-band receiver from TRL-5 to TRL-8 by the end of this effort. Different X-band communication system components (antennas, diplexers, etc.) from GSFC, other NASA centers, universities, and private companies have been investigated and traded, and a complete component list for the communication system baseline has been developed by performing analytical and numerical analysis. This objective also includes running simulations and performing trades between different X-band antenna systems to optimize communication system performance. The final objective is to perform an end-to-end X-band CubeSat communication system

  1. Composition dependent band offsets of ZnO and its ternary alloys

    NASA Astrophysics Data System (ADS)

    Yin, Haitao; Chen, Junli; Wang, Yin; Wang, Jian; Guo, Hong

    2017-01-01

    We report the calculated fundamental band gaps of wurtzite ternary alloys Zn1-xMxO (M = Mg, Cd) and the band offsets of the ZnO/Zn1-xMxO heterojunctions, these II-VI materials are important for electronics and optoelectronics. Our calculation is based on density functional theory within the linear muffin-tin orbital (LMTO) approach where the modified Becke-Johnson (MBJ) semi-local exchange is used to accurately produce the band gaps, and the coherent potential approximation (CPA) is applied to deal with configurational average for the ternary alloys. The combined LMTO-MBJ-CPA approach allows one to simultaneously determine both the conduction band and valence band offsets of the heterojunctions. The calculated band gap data of the ZnO alloys scale as Eg = 3.35 + 2.33x and Eg = 3.36 - 2.33x + 1.77x2 for Zn1-xMgxO and Zn1-xCdxO, respectively, where x being the impurity concentration. These scaling as well as the composition dependent band offsets are quantitatively compared to the available experimental data. The capability of predicting the band parameters and band alignments of ZnO and its ternary alloys with the LMTO-CPA-MBJ approach indicate the promising application of this method in the design of emerging electronics and optoelectronics.

  2. Interacting quasi-band model for electronic states in compound semiconductor alloys: Zincblende structure

    NASA Astrophysics Data System (ADS)

    Shinozuka, Yuzo; Oda, Masato

    2015-09-01

    The interacting quasi-band model proposed for electronic states in simple alloys is extended for compound semiconductor alloys with general lattice structures containing several atoms per unit cell. Using a tight-binding model, a variational electronic wave function for quasi-Bloch states yields a non-Hermitian Hamiltonian matrix characterized by matrix elements of constituent crystals and concentration of constituents. Solving secular equations for each k-state yields the alloy’s energy spectrum for any type of randomness and arbitrary concentration. The theory is used to address III-V (II-VI) alloys with a zincblende lattice with crystal band structures well represented by the sp3s* model. Using the resulting 15 × 15 matrix, the concentration dependence of valence and conduction bands is calculated in a unified scheme for typical alloys: Al1-xGaxAs, GaAs1-xPx, and GaSb1-xPx. Results agree well with experiments and are discussed with respect to the concentration dependence, direct-indirect gap transition, and band-gap-bowing origin.

  3. Ultrabroadband Design for Linear Polarization Conversion and Asymmetric Transmission Crossing X- and K- Band

    PubMed Central

    Zhang, Linbo; Zhou, Peiheng; Chen, Haiyan; Lu, Haipeng; Xie, Haiyan; Zhang, Li; Li, En; Xie, Jianliang; Deng, Longjiang

    2016-01-01

    In this work, a high-efficiency and broadband reflective converter using ultrathin planar metamaterial (MM) composed of single-layered SRR is firstly realized. Numerical and experimental results demonstrate that the cross-polarization conversion reflectance above 0.84 is achieved from 8.6 to 18.6 GHz for linearly polarized (LP) incident waves under normal incidence. Subsequently, a multi-layered MM based on SRR enables a dramatic improvement of the recently demonstrated asymmetric transmission (AT) effect. Theoretical and measured results present that strong one-way transmission of two orthogonally polarized waves crossing C- and K- band has been observed. These two separated AT pass-bands have a function of selective polarization filter, which can be switched on/off by changing the polarization state of incident waves. The physical mechanisms are elucidated by taking advantage of electric fields and current distributions. Considering the broad bandwidth and the dual band, we believe that these two structures will be beneficial for designing polarization-controlled and selective transmission converter. PMID:27658929

  4. Ultrabroadband Design for Linear Polarization Conversion and Asymmetric Transmission Crossing X- and K- Band.

    PubMed

    Zhang, Linbo; Zhou, Peiheng; Chen, Haiyan; Lu, Haipeng; Xie, Haiyan; Zhang, Li; Li, En; Xie, Jianliang; Deng, Longjiang

    2016-09-23

    In this work, a high-efficiency and broadband reflective converter using ultrathin planar metamaterial (MM) composed of single-layered SRR is firstly realized. Numerical and experimental results demonstrate that the cross-polarization conversion reflectance above 0.84 is achieved from 8.6 to 18.6 GHz for linearly polarized (LP) incident waves under normal incidence. Subsequently, a multi-layered MM based on SRR enables a dramatic improvement of the recently demonstrated asymmetric transmission (AT) effect. Theoretical and measured results present that strong one-way transmission of two orthogonally polarized waves crossing C- and K- band has been observed. These two separated AT pass-bands have a function of selective polarization filter, which can be switched on/off by changing the polarization state of incident waves. The physical mechanisms are elucidated by taking advantage of electric fields and current distributions. Considering the broad bandwidth and the dual band, we believe that these two structures will be beneficial for designing polarization-controlled and selective transmission converter.

  5. Verification of band offsets and electron effective masses in GaAsN/GaAs quantum wells: Spectroscopic experiment versus 10-band k·p modeling

    NASA Astrophysics Data System (ADS)

    Ryczko, K.; Sek, G.; Sitarek, P.; Mika, A.; Misiewicz, J.; Langer, F.; Höfling, S.; Forchel, A.; Kamp, M.

    2013-06-01

    Optical transitions in GaAs1-xNx/GaAs quantum wells (QWs) have been probed by two complementary techniques, modulation spectroscopy in a form of photoreflectance and surface photovoltage spectroscopy. Transition energies in QWs of various widths and N contents have been compared with the results of band structure calculations based on the 10-band k.p Hamiltonian. Due to the observation of higher order transitions in the measured spectra, the band gap discontinuities at the GaAsN/GaAs interface and the electron effective masses could be determined, both treated as semi-free parameters to get the best matching between the theoretical and experimental energies. We have obtained the chemical conduction band offset values of 86% for x = 1.2% and 83% for x = 2.2%, respectively. For these determined band offsets, the electron effective masses equal to about 0.09 mo in QWs with 1.2% N and 0.15 mo for the case of larger N content of 2.2%.

  6. Electrical and band structural analyses of Ti1-x Al x O y films grown by atomic layer deposition on p-type GaAs

    NASA Astrophysics Data System (ADS)

    An, Youngseo; Mahata, Chandreswar; Lee, Changmin; Choi, Sungho; Byun, Young-Chul; Kang, Yu-Seon; Lee, Taeyoon; Kim, Jiyoung; Cho, Mann-Ho; Kim, Hyoungsub

    2015-10-01

    Amorphous Ti1-x Al x O y films in the Ti-oxide-rich regime (x  <  0.5) were deposited on p-type GaAs via atomic layer deposition with titanium isopropoxide, trimethylaluminum, and H2O precursor chemistry. The electrical properties and energy band alignments were examined for the resulting materials with their underlying substrates, and significant frequency dispersion was observed in the accumulation region of the Ti-oxide-rich Ti1-x Al x O y films. Although a further reduction in the frequency dispersion and leakage current (under gate electron injection) could be somewhat achieved through a greater addition of Al-oxide in the Ti1-x Al x O y film, the simultaneous decrease in the dielectric constant proved problematic in finding an optimal composition for application as a gate dielectric on GaAs. The spectroscopic band alignment measurements of the Ti-oxide-rich Ti1-x Al x O y films indicated that the band gaps had a rather slow increase with the addition of Al-oxide, which was primarily compensated for by an increase in the valance band offset, while a nearly-constant conduction band offset with a negative electron barrier height was maintained.

  7. Band-to-Band Tunneling-Dominated Thermo-Enhanced Field Electron Emission from p-Si/ZnO Nanoemitters.

    PubMed

    Huang, Zhizhen; Huang, Yifeng; Xu, Ningsheng; Chen, Jun; She, Juncong; Deng, Shaozhi

    2018-06-13

    Thermo-enhancement is an effective way to achieve high performance field electron emitters, and enables the individually tuning on the emission current by temperature and the electron energy by voltage. The field emission current from metal or n-doped semiconductor emitter at a relatively lower temperature (i.e., < 1000 K) is less temperature sensitive due to the weak dependence of free electron density on temperature, while that from p-doped semiconductor emitter is restricted by its limited free electron density. Here, we developed full array of uniform individual p-Si/ZnO nanoemitters and demonstrated the strong thermo-enhanced field emission. The mechanism of forming uniform nanoemitters with well Si/ZnO mechanical joint in the nanotemplates was elucidated. No current saturation was observed in the thermo-enhanced field emission measurements. The emission current density showed about ten-time enhancement (from 1.31 to 12.11 mA/cm 2 at 60.6 MV/m) by increasing the temperature from 323 to 623 K. The distinctive performance did not agree with the interband excitation mechanism but well-fit to the band-to-band tunneling model. The strong thermo-enhancement was proposed to be benefit from the increase of band-to-band tunneling probability at the surface portion of the p-Si/ZnO nanojunction. This work provides promising cathode for portable X-ray tubes/panel, ionization vacuum gauges and low energy electron beam lithography, in where electron-dose control at a fixed energy is needed.

  8. Nonrigid band shift and nonmonotonic electronic structure changes upon doping in the normal state of the pnictide high-temperature superconductor Ba ( F e 1 - x C o x ) 2 A s 2

    DOE PAGES

    Vilmercati, Paolo; Mo, Sung -Kwan; Fedorov, Alexei; ...

    2016-11-28

    Here, we report systematic angle-resolved photoemission (ARPES) experiments using different photon polarizations and experimental geometries and find that the doping evolution of the normal state of Ba(Fe 1–xCo x) 2As 2 deviates significantly from the predictions of a rigid band model. The data reveal a nonmonotonic dependence upon doping of key quantities such as band filling, bandwidth of the electron pocket, and quasiparticle coherence. Our analysis suggests that the observed phenomenology and the inapplicability of the rigid band model in Co-doped Ba122 are due to electronic correlations, and not to the either the strength of the impurity potential, or self-energymore » effects due to impurity scattering. Our findings indicate that the effects of doping in pnictides are much more complicated than currently believed. More generally, they indicate that a deep understanding of the evolution of the electronic properties of the normal state, which requires an understanding of the doping process, remains elusive even for the 122 iron-pnictides, which are viewed as the least correlated of the high-T C unconventional superconductors.« less

  9. Spectrally resolved localized states in GaAs 1– xBi x

    DOE PAGES

    Christian, Theresa M.; Alberi, Kirstin; Beaton, Daniel A.; ...

    2017-02-01

    In this study, the role of localized states and their influence on the broader band structure remains a crucial question in understanding the band structure evolution in GaAs 1-xBi x. Here in this work, we present clear spectroscopic observations of recombination at several localized states in GaAs 1-xBi x. Sharp and recognizable photoluminescence features appear in multiple samples and redshift as a function of GaBi fraction between x = 0.16% and 0.4% at a linearized rate of 34 meV per % Bi, weaker than the redshift associated with band-to-band recombination. Interpreting these results in terms of radiative recombination between localizedmore » holes and free electrons sheds light on the relative movement of the conduction band minimum and the characteristics of localized bismuth-related trap states in GaAs 1-xBi x alloys.« less

  10. X-band Uplink Ground Systems Development

    NASA Technical Reports Server (NTRS)

    Johns, C. E.

    1984-01-01

    The development of the X-band exciter and Doppler extractor equipment for the X-band uplink was completed. Stability measurements were made on the exciter and Doppler reference signals and the results are presented.

  11. X-band inverse class-F GaN internally-matched power amplifier

    NASA Astrophysics Data System (ADS)

    Zhao, Bo-Chao; Lu, Yang; Han, Wen-Zhe; Zheng, Jia-Xin; Zhang, Heng-Shuang; Ma, Pei-jun; Ma, Xiao-Hua; Hao, Yue

    2016-09-01

    An X-band inverse class-F power amplifier is realized by a 1-mm AlGaN/GaN high electron mobility transistor (HEMT). The intrinsic and parasitic components inside the transistor, especially output capacitor Cds, influence the harmonic impedance heavily at the X-band, so compensation design is used for meeting the harmonic condition of inverse class-F on the current source plane. Experiment results show that, in the continuous-wave mode, the power amplifier achieves 61.7% power added efficiency (PAE), which is 16.3% higher than the class-AB power amplifier realized by the same kind of HEMT. To the best of our knowledge, this is the first inverse class-F GaN internally-matched power amplifier, and the PAE is quite high at the X-band. Project supported by the National High Technology Research and Development Program of China (Grant No. 2015AA016801).

  12. Electronic structures of U X3 (X =Al , Ga, and In) studied by photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Fujimori, Shin-ichi; Kobata, Masaaki; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Fujimori, Atsushi; Yamagami, Hiroshi; Haga, Yoshinori; Yamamoto, Etsuji; Ōnuki, Yoshichika

    2017-09-01

    The electronic structures of U X3 (X =Al , Ga , and In ) were studied by photoelectron spectroscopy to understand the relationship between their electronic structures and magnetic properties. The band structures and Fermi surfaces of UAl3 and UGa3 were revealed experimentally by angle-resolved photoelectron spectroscopy (ARPES), and they were compared with the result of band-structure calculations. The topologies of the Fermi surfaces and the band structures of UAl3 and UGa3 were explained reasonably well by the calculation, although bands near the Fermi level (EF) were renormalized owing to the finite electron correlation effect. The topologies of the Fermi surfaces of UAl3 and UGa3 are very similar to each other, except for some minor differences. Such minor differences in their Fermi surface or electron correlation effect might take an essential role in their different magnetic properties. No significant changes were observed between the ARPES spectra of UGa3 in the paramagnetic and antiferromagnetic phases, suggesting that UGa3 is an itinerant weak antiferromagnet. The effect of chemical pressure on the electronic structures of U X3 compounds was also studied by utilizing the smaller lattice constants of UAl3 and UGa3 than that of UIn3. The valence band spectrum of UIn3 is accompanied by a satellitelike structure on the high-binding-energy side. The core-level spectrum of UIn3 is also qualitatively different from those of UAl3 and UGa3. These findings suggest that the U 5 f states in UIn3 are more localized than those in UAl3 and UGa3.

  13. Exciter For X-Band Transmitter And Receiver

    NASA Technical Reports Server (NTRS)

    Johns, Carl E.

    1989-01-01

    Report describes developmental X-band exciter for X-band uplink subsystem of Deep Space Network. X-band transmitter-exciting signal expected to have fractional frequency stability of 5.2 X 10 to negative 15th power during 1,000-second integration period. Generates coherent test signals for S- and X-band Block III translator of Deep Space Network, Doppler-reference signal for associated Doppler-extractor system, first-local-oscillator signal for associated receiver, and reference signal for associated ranging subsystem. Tests of prototype exciter show controlling and monitoring and internal phase-correcting loops perform according to applicable design criteria. Measurements of stability of frequency and of single-sideband noise spectral density of transmitter-exciting signal made subsequently.

  14. Band structure engineering for solar energy applications: Zinc oxide(1-x) selenium(x) films and devices

    NASA Astrophysics Data System (ADS)

    Mayer, Marie Annette

    New technologies motivate the development of new semiconducting materials, for which structural, electrical and chemical properties are not well understood. In addition to new materials systems, there are huge opportunities for new applications, especially in solar energy conversion. In this dissertation I explore the role of band structure engineering of semiconducting oxides for solar energy. Due to the abundance and electrochemical stability of oxides, the appropriate modification could make them appealing for applications in both photovoltaics and photoelectrochemical hydrogen production. This dissertation describes the design, synthesis and evaluation of the alloy ZnO1-xSe x for these purposes. I review several methods of band structure engineering including strain, quantum confinement and alloying. A detailed description of the band anticrossing (BAC) model for highly mismatched alloys is provided, including the derivation of the BAC model as well as recent work and potential applications. Thin film ZnOxSe1-x samples are grown by pulsed laser deposition (PLD). I describe in detail the effect of growth conditions (temperature, pressure and laser fluence) on the chemistry, structure and optoelectronic properties of ZnOxSe1-x. The films are grown using different combinations of PLD conditions and characterized with a variety of techniques. Phase pure films with low roughness and high crystallinity were obtained at temperatures below 450¢ªC, pressures less than 10-4 Torr and laser fluences on the order of 1.5 J/cm 2. Electrical conduction was still observed despite heavy concentrations of grain boundaries. The band structure of ZnO1-xSex is then examined in detail. The bulk electron affinity of a ZnO thin film was measured to be 4.5 eV by pinning the Fermi level with native defects. This is explained in the framework of the amphoteric defect model. A shift in the ZnO1-xSe x valence band edge with x is observed using synchrotron x-ray absorption and emission

  15. Band structure and unconventional electronic topology of CoSi

    NASA Astrophysics Data System (ADS)

    Pshenay-Severin, D. A.; Ivanov, Y. V.; Burkov, A. A.; Burkov, A. T.

    2018-04-01

    Semimetals with certain crystal symmetries may possess unusual electronic structure topology, distinct from that of the conventional Weyl and Dirac semimetals. Characteristic property of these materials is the existence of band-touching points with multiple (higher than two-fold) degeneracy and nonzero Chern number. CoSi is a representative of this group of materials exhibiting the so-called ‘new fermions’. We report on an ab initio calculation of the electronic structure of CoSi using density functional methods, taking into account the spin-orbit interactions. The linearized \

  16. A tapered multi-gap multi-aperture pseudospark-sourced electron gun based X-band slow wave oscillator

    NASA Astrophysics Data System (ADS)

    Kumar, N.; Lamba, R. P.; Hossain, A. M.; Pal, U. N.; Phelps, A. D. R.; Prakash, R.

    2017-11-01

    The experimental study of a tapered, multi-gap, multi-aperture pseudospark-sourced electron gun based X-band plasma assisted slow wave oscillator is presented. The designed electron gun is based on the pseudospark discharge concept and has been used to generate a high current density and high energy electron beam simultaneously. The distribution of apertures has been arranged such that the field penetration potency inside the backspace of the hollow-cathode is different while passing through the tapered gap region. This leads to non-concurrent ignition of the discharge through all the channels which is, in general, quite challenging in the case of multi-aperture plasma cathode electron gun geometries. Multiple and successive hollow cathode phases are reported from this electron gun geometry, which have been confirmed using simulations. This geometry also has led to the achievement of ˜71% fill factor inside the slow wave oscillator for an electron beam of energy of 20 keV and a beam current density in the range of 115-190 A/cm2 at a working argon gas pressure of 18 Pa. The oscillator has generated broadband microwave output in the frequency range of 10-11.7 GHz with a peak power of ˜10 kW for ˜50 ns.

  17. Ballistic-Electron-Emission-Microscopy of Strained Si(sub 1-x)Ge(sub x) Layers

    NASA Technical Reports Server (NTRS)

    Bell, L. D.; Milliken, A. M.; Manion, S. J.; Kaiser, W. J.; Fathauer, R. W.; Pike, W. T.

    1994-01-01

    Ballistic-electron-emission microscopy (BEEM) has been used to investigate the effects of strain on Si(sub 1-x)Ge(sub x) alloys. Lifting of the degeneracy of the conduction-band minimum of Si(sub 1-x)Ge(sub x), due to lattice deformation has been directly measured by application of BEEM spectroscopy to Ag/Si structures. Experimental values for this conduction-band splitting agree well with calculations. In addition, an unexpected heterogeneity in the strain of the Si(sub 1-x)Ge(sub x) layer is introduced by deposition of Au. This effect, not observed with Ag, is attributed to species interdiffusion and has important implications for metal-semiconductor devices based oil pseudomorphic Si(sub 1-x)Ge(sub x)/Si material systems.

  18. Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State.

    PubMed

    Lim, A; Foulkes, W M C; Horsfield, A P; Mason, D R; Schleife, A; Draeger, E W; Correa, A A

    2016-01-29

    We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. An analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.

  19. Band Gap Tuning of CH₃NH₃Pb(Br(1-x)Clx)₃ Hybrid Perovskite for Blue Electroluminescence.

    PubMed

    Kumawat, Naresh K; Dey, Amrita; Kumar, Aravindh; Gopinathan, Sreelekha P; Narasimhan, K L; Kabra, Dinesh

    2015-06-24

    We report on the structural, morphological and optical properties of AB(Br(1-x)Cl(x))3 (where, A = CH3NH3(+), B = Pb(2+) and x = 0 to 1) perovskite semiconductor and their successful demonstration in green and blue emissive perovskite light emitting diodes at room temperature. The bandgap of perovskite thin film is tuned from 2.42 to 3.16 eV. The onset of optical absorption is dominated by excitonic effects. The coulomb field of the exciton influences the absorption at the band edge. Hence, it is necessary to explicitly account for the enhancement of the absorption through the Sommerfield factor. This enables us to correctly extract the exciton binding energy and the electronic bandgap. We also show that the lattice constant varies linearly with the fractional chlorine content satisfying Vegards law.

  20. Electronic Band Structure Tuning of Highly-Mismatched-Alloys for Energy Conversion Applications

    NASA Astrophysics Data System (ADS)

    Ting, Min

    Highly-mismatched alloys: ZnO1-xTe x and GaN1-xSb x are discussed within the context of finding the suitable material for a cost-effective Si-based tandem solar cell (SBTSC). SBTSC is an attractive concept for breaking through the energy conversion efficiency theoretical limit of a single junction solar cell. Combining with a material of 1.8 eV band gap, SBTSC can theoretically achieve energy conversion efficiency > 45%. ZnO and GaN are wide band gap semiconductors. Alloying Te in ZnO and alloying Sb in GaN result in large band gap reduction to < 2 eV from 3.3 eV and 3.4 eV respectively. The band gap reduction is majorly achieved by the upward shift of valence band (VB). Incorporating Te in ZnO modifies the VB of ZnO through the valence-band anticrossing (VBAC) interaction between localized Te states and ZnO VB delocalized states, which forms a Te-derived VB at 1 eV above the host VB. Similar band structure modification is resulted from alloying Sb in GaN. Zn1-xTex and GaN 1-xSbx thin films are synthesized across the whole composition range by pulsed laser deposition (PLD) and low temperature molecular beam epitaxy (LT-MBE) respectively. The electronic band edges of these alloys are measured by synchrotron X-ray absorption, emission, and the X-ray photoelectron spectroscopies. Modeling the optical absorption coefficient with the band anticrossing (BAC) model revealed that the Te and Sb defect levels to be at 0.99 eV and 1.2 eV above the VB of ZnO and GaN respectively. Electrically, Zn1-xTex is readily n-type conductive and GaN1-xSbx is strongly p-type conductive. A heterojunction device of p-type GaN 0.93Sb0.07 with n-type ZnO0.77Te0.93 upper cell (band gap at 1.8 eV) on Si bottom cell is proposed as a promising SBTSC device.

  1. Electron band bending of polar, semipolar and non-polar GaN surfaces

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bartoš, I.; Romanyuk, O., E-mail: romanyuk@fzu.cz; Houdkova, J.

    2016-03-14

    The magnitudes of the surface band bending have been determined by X-ray photoelectron spectroscopy for polar, semipolar, and non-polar surfaces of wurtzite GaN crystals. All surfaces have been prepared from crystalline GaN samples grown by the hydride-vapour phase epitaxy and separated from sapphire substrates. The Ga 3d core level peak shifts have been used for band bending determination. Small band bending magnitudes and also relatively small difference between the band bendings of the surfaces with opposite polarity have been found. These results point to the presence of electron surface states of different amounts and types on surfaces of different polaritymore » and confirm the important role of the electron surface states in compensation of the bound surface polarity charges in wurtzite GaN crystals.« less

  2. 950 keV X-Band Linac For Material Recognition Using Two-Fold Scintillator Detector As A Concept Of Dual-Energy X-Ray System

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lee, Kiwoo; Natsui, Takuya; Hirai, Shunsuke

    2011-06-01

    One of the advantages of applying X-band linear accelerator (Linac) is the compact size of the whole system. That shows us the possibility of on-site system such as the custom inspection system in an airport. As X-ray source, we have developed X-band Linac and achieved maximum X-ray energy 950 keV using the low power magnetron (250 kW) in 2 {mu}s pulse length. The whole size of the Linac system is 1x1x1 m{sup 3}. That is realized by introducing X-band system. In addition, we have designed two-fold scintillator detector in dual energy X-ray concept. Monte carlo N-particle transport (MCNP) code wasmore » used to make up sensor part of the design with two scintillators, CsI and CdWO4. The custom inspection system is composed of two equipments: 950 keV X-band Linac and two-fold scintillator and they are operated simulating real situation such as baggage check in an airport. We will show you the results of experiment which was performed with metal samples: iron and lead as targets in several conditions.« less

  3. Design study of an S-band RF cavity of a dual-energy electron LINAC for the CIS

    NASA Astrophysics Data System (ADS)

    Lee, Byeong-No; Park, Hyungdal; Song, Ki-baek; Li, Yonggui; Lee, Byung Cheol; Cha, Sung-su; Lee, Jong-Chul; Shin, Seung-Wook; Chai, Jong-seo

    2014-01-01

    The design of a resonance frequency (RF) cavity for the dual-energy S-band electron linear accelerator (LINAC) has been carried out for the cargo inspection system (CIS). This Standing-wave-type RF cavity is operated at a frequency under the 2856-MHz resonance frequency and generates electron beams of 9 MeV (high mode) and 6 MeV (low mode). The electrons are accelerated from the initial energy of the electron gun to the target energy (9 or 6 MeV) inside the RF cavity by using the RF power transmitted from a 5.5-MW-class klystron. Then, electron beams with a 1-kW average power (both high mode and low mode) bombard an X-ray target a 2-mm spot size. The proposed accelerating gradient was 13 MV/m, and the designed Q value was about 7100. On going research on 15-MeV non-destructive inspections for military or other applications is presented.

  4. Electron elevator: Excitations across the band gap via a dynamical gap state

    DOE PAGES

    Lim, Anthony; Foulkes, W. M. C.; Horsfield, A. P.; ...

    2016-01-27

    We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. Lastly, an analysis of the time dependence of the transition rates using coupled linear rate equations enables one of themore » excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.« less

  5. E+ Transition in GaAs1-xNx and GaAs1-xBix Due to Isoelectronic-Impurity-Induced Perturbation of the Conduction Band

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fluegel, B.; Mascarenhas, A.; Ptak, A. J.

    2007-01-01

    An above-band-gap transition E{sub +} is experimentally observed in the dilute GaAs{sub 1-x}Bi{sub x} alloy. Precise measurements at very low dilutions are made of the above-band-gap transition E{sub +} that is observed in GaAs{sub 1-x}N{sub x}, making it possible to compare the behavior of the different isoelectronic traps Bi and N in the common host GaAs with respect to their perturbation to the host electronic structure. We suggest that the origin of the E{sub +} level observed in GaAs is not the isolated isoelectronic impurity level N{sub x}, as is presumed in the band-anticrossing model, but rather the isoelectronic-impurity-induced perturbationmore » of the conduction band L{sub 6}{sup c}.« less

  6. Dutch X-band SLAR calibration

    NASA Technical Reports Server (NTRS)

    Groot, J. S.

    1990-01-01

    In August 1989 the NASA/JPL airborne P/L/C-band DC-8 SAR participated in several remote sensing campaigns in Europe. Amongst other test sites, data were obtained of the Flevopolder test site in the Netherlands on August the 16th. The Dutch X-band SLAR was flown on the same date and imaged parts of the same area as the SAR. To calibrate the two imaging radars a set of 33 calibration devices was deployed. 16 trihedrals were used to calibrate a part of the SLAR data. This short paper outlines the X-band SLAR characteristics, the experimental set-up and the calibration method used to calibrate the SLAR data. Finally some preliminary results are given.

  7. Spin splitting in band structures of BiTeX (X=Cl, Br, I) monolayers

    NASA Astrophysics Data System (ADS)

    Hvazdouski, D. C.; Baranava, M. S.; Stempitsky, V. R.

    2018-04-01

    In systems with breaking of inversion symmetry a perpendicular electric field arises that interacts with the conduction electrons. It may give rise to electron state splitting even without influence of external magnetic field due to the spin-orbital interaction (SOI). Such a removal of the spin degeneracy is called the Rashba effect. Nanostructure with the Rashba effect can be part of a spin transistor. Spin degeneracy can be realized in a channel from a material of this type without additive of magnetic ions. Lack of additive increases the charge carrier mobility and reliability of the device. Ab initio simulations of BiTeX (X=Cl, Br, I) monolayers have been carried out using VASP wherein implemented DFT method. The study of this structures is of interest because such sort of structures can be used their as spin-orbitronics materials. The crystal parameters of BiTeCl, BiTeBr, BiTeI have been determined by the ionic relaxation and static calculations. It is necessary to note that splitting of energy bands occurs in case of SOI included. The values of the Rashba coefficient aR (in the range from 6.25 to 10.00 eV·Å) have high magnitudes for spintronics materials. Band structure of monolayers structures have ideal Rashba electron gas, i.e. there no other energy states near to Fermi level except Rashba states.

  8. A programmable ultra-low noise X-band exciter.

    PubMed

    MacMullen, A; Hoover, L R; Justice, R D; Callahan, B S

    2001-07-01

    A programmable ultra-low noise X-band exciter has been developed using commercial off-the-shelf components. Its phase noise is more than 10 dB below the best available microwave synthesizers. It covers a 7% frequency band with 0.1-Hz resolution. The X-band output at +23 dBm is a combination of signals from an X-band sapphire-loaded cavity oscillator (SLCO), a low noise UHF frequency synthesizer, and special-purpose frequency translation and up-conversion circuitry.

  9. X-band uplink ground systems development: Part 2

    NASA Technical Reports Server (NTRS)

    Johns, C. E.

    1987-01-01

    The prototype X-band exciter testing has been completed. Stability and single-sideband phase noise measurements have been made on the X-band exciter signal (7.145-7.235 GHz) and on the coherent X- and S-band receiver test signals (8.4-8.5 GHz and 2.29-2.3 GHz) generated within the exciter equipment. Outputs are well within error budgets.

  10. Terra MODIS Band 27 Electronic Crosstalk Effect and Its Removal

    NASA Technical Reports Server (NTRS)

    Sun, Junqiang; Xiong, Xiaoxiong; Madhavan, Sriharsha; Wenny, Brian

    2012-01-01

    The MODerate-resolution Imaging Spectroradiometer (MODIS) is one of the primary instruments in the NASA Earth Observing System (EOS). The first MODIS instrument was launched in December, 1999 on-board the Terra spacecraft. MODIS has 36 bands, covering a wavelength range from 0.4 micron to 14.4 micron. MODIS band 27 (6.72 micron) is a water vapor band, which is designed to be insensitive to Earth surface features. In recent Earth View (EV) images of Terra band 27, surface feature contamination is clearly seen and striping has become very pronounced. In this paper, it is shown that band 27 is impacted by electronic crosstalk from bands 28-30. An algorithm using a linear approximation is developed to correct the crosstalk effect. The crosstalk coefficients are derived from Terra MODIS lunar observations. They show that the crosstalk is strongly detector dependent and the crosstalk pattern has changed dramatically since launch. The crosstalk contributions are positive to the instrument response of band 27 early in the mission but became negative and much larger in magnitude at later stages of the mission for most detectors of the band. The algorithm is applied to both Black Body (BB) calibration and MODIS L1B products. With the crosstalk effect removed, the calibration coefficients of Terra MODIS band 27 derived from the BB show that the detector differences become smaller. With the algorithm applied to MODIS L1B products, the Earth surface features are significantly removed and the striping is substantially reduced in the images of the band. The approach developed in this report for removal of the electronic crosstalk effect can be applied to other MODIS bands if similar crosstalk behaviors occur.

  11. Propagation of modulated electron and X-ray beams through matter and interactions with radio-frequency structures

    NASA Astrophysics Data System (ADS)

    Harris, J. R.; Miller, R. B.

    2018-02-01

    The generation and evolution of modulated particle beams and their interactions with resonant radiofrequency (RF) structures are of fundamental interest for both particle accelerator and vacuum electronic systems. When the constraint of propagation in a vacuum is removed, the evolution of such beams can be greatly affected by interactions with matter including scattering, absorption, generation of atmospheric plasma, and the production of multiple generations of secondary particles. Here, we study the propagation of 21 MeV and 25 MeV electron beams produced in S-band and L-band linear accelerators, and their interaction with resonant RF structures, under a number of combinations of geometry, including transmission through both air and metal. Both resonant and nonresonant interactions were observed, with the resonant interactions indicating that the RF modulation on the electron beam is at least partially preserved as the beam propagates through air and metal. When significant thicknesses of metal are placed upstream of a resonant structure, preventing any primary beam electrons from reaching the structure, RF signals could still be induced in the structures. This indicated that the RF modulation present on the electron beam was also impressed onto the x-rays generated when the primary electrons were stopped in the metal, and that this RF modulation was also present on the secondary electrons generated when the x-rays struck the resonant structures. The nature of these interactions and their sensitivities to changes in system configurations will be discussed.

  12. The temperature-dependency of the optical band gap of ZnO measured by electron energy-loss spectroscopy in a scanning transmission electron microscope

    NASA Astrophysics Data System (ADS)

    Granerød, Cecilie S.; Galeckas, Augustinas; Johansen, Klaus Magnus; Vines, Lasse; Prytz, Øystein

    2018-04-01

    The optical band gap of ZnO has been measured as a function of temperature using Electron Energy-Loss Spectroscopy (EELS) in a (Scanning) Transmission Electron Microscope ((S)TEM) from approximately 100 K up towards 1000 K. The band gap narrowing shows a close to linear dependency for temperatures above 250 K and is accurately described by Varshni, Bose-Einstein, Pässler and Manoogian-Woolley models. Additionally, the measured band gap is compared with both optical absorption measurements and photoluminescence data. STEM-EELS is here shown to be a viable technique to measure optical band gaps at elevated temperatures, with an available temperature range up to 1500 K and the benefit of superior spatial resolution.

  13. Simulation of radar backscattering from snowpack at X-band and Ku-band

    NASA Astrophysics Data System (ADS)

    Gay, Michel; Phan, Xuan-Vu; Ferro-Famil, Laurent

    2016-04-01

    This paper presents a multilayer snowpack electromagnetic backscattering model, based on Dense Media Radiative Transfer (DMRT). This model is capable of simulating the interaction of electromagnetic wave (EMW) at X-band and Ku-band frequencies with multilayer snowpack. The air-snow interface and snow-ground backscattering components are calculated using the Integral Equation Model (IEM) by [1], whereas the volume backscattering component is calculated based on the solution of Vector Radiative Transfer (VRT) equation at order 1. Case study has been carried out using measurement data from NoSREx project [2], which include SnowScat data in X-band and Ku-band, TerraSAR-X acquisitions and snowpack stratigraphic in-situ measurements. The results of model simulations show good agreement with the radar observations, and therefore allow the DMRT model to be used in various applications, such as data assimilation [3]. [1] A.K. Fung and K.S. Chen, "An update on the iem surface backscattering model," Geoscience and Remote Sensing Letters, IEEE, vol. 1, no. 2, pp. 75 - 77, april 2004. [2] J. Lemmetyinen, A. Kontu, J. Pulliainen, A. Wiesmann, C. Werner, T. Nagler, H. Rott, and M. Heidinger, "Technical assistance for the deployment of an x- to ku-band scatterometer during the nosrex ii experiment," Final Report, ESA ESTEC Contract No. 22671/09/NL/JA., 2011. [3] X. V. Phan, L. Ferro-Famil, M. Gay, Y. Durand, M. Dumont, S. Morin, S. Allain, G. D'Urso, and A. Girard, "3d-var multilayer assimilation of x-band sar data into a detailed snowpack model," The Cryosphere Discussions, vol. 7, no. 5, pp. 4881-4912, 2013.

  14. Theoretical investigation of structural, electronic and optical properties of MgxBa1-xS, MgxBa1-xSe and MgxBa1-xTe ternary alloys using DFT based FP-LAPW approach

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, Rahul; Chattopadhyaya, Surya

    2017-11-01

    Density functional theory (DFT) based full-potential linearized augmented plane wave (FP-LAPW) methodology has been employed to investigate theoretically the structural, electronic and optical properties of MgxBa1-xS, MgxBa1-xSe and MgxBa1-xTe ternary alloys for 0 ≤ x ≤ 1 in their rock-salt (B1) crystallographic phase. The exchange-correlation potentials for the structural properties have been computed using the Wu-Cohen generalized-gradient approximation (WC-GGA) scheme, while those for the electronic and optical properties have been computed using both the WC-GGA and the recently developed Tran-Blaha modified Becke-Johnson (TB-mBJ) schemes. The thermodynamic stability of all the ternary alloys have been investigated by calculating their respective enthalpy of formation. The atomic and orbital origin of different electronic states in the band structure of the compounds have been identified from the respective density of states (DOS). Using the approach of Zunger and co-workers, the microscopic origin of band gap bowing has been discussed in term of volume deformation, charge exchange and structural relaxation. Bonding characteristics among the constituent atoms of each of the specimens have been discussed from their charge density contour plots. Optical properties of the binary compounds and ternary alloys have been investigated theoretically in terms of their respective dielectric function, refractive index, normal incidence reflectivity and optical conductivity. Several calculated results have been compared with available experimental and other theoretical data.

  15. DFT study of structural and electronic properties of MoS2(1-x)Se2x alloy (x = 0.25)

    NASA Astrophysics Data System (ADS)

    Gusakova, Julia; Gusakov, Vasilii; Tay, Beng Kang

    2018-04-01

    First-principles calculations have been performed to study the structural features of the monolayer MoS2(1-x)Se2x (x = 0.25) alloy and its electronic properties. We studied the effects of the relative positions of Se atoms in a real monolayer alloy. It was demonstrated that the distribution of the Se atoms between the top and bottom chalcogen planes was most energetically favorable. For a more probable distribution of Se atoms, a MoS2(1-x)Se2x (x = 0.25) monolayer alloy is a direct semiconductor with a fundamental band gap equal to 2.35 eV (calculated with the GVJ-2e method). We also evaluated the optical band gap of the alloy at 77 K (1.86 eV) and at room temperature (1.80 eV), which was in good agreement with the experimentally measured band gap of 1.79 eV.

  16. Electronic Structure and Thermoelectric Properties of Transition Metal Monosilicides

    NASA Astrophysics Data System (ADS)

    Pshenay-Severin, D. A.; Ivanov, Yu. V.; Burkov, A. T.; Novikov, S. V.; Zaitsev, V. K.; Reith, H.

    2018-06-01

    We present theoretical and experimental results on electronic structure and thermoelectric properties of cobalt monosilicide (CoSi) and of Co1- x M x Si diluted alloys (M = Fe and Ni) at temperatures from 2 K to 800 K. CoSi crystallizes into a non-centrosymmetric cubic B20 structure, which suggests the possibility of a topologically non-trivial electronic structure. We show that the electronic structure of CoSi exhibits linear band crossings in close vicinity to Fermi energy, confirming the possibility of non-trivial topology. The proximity of the linear-dispersion bands to Fermi energy implies their important contribution to the electronic transport. Calculation of thermopower of CoSi, using ab initio band structure and the constant relaxation time approximation, is carried out. It reveals that many body corrections to the electronic spectrum are important in order to obtain qualitative agreement of theoretical and experimental temperature dependences of thermopower. Phonon dispersion and lattice thermal conductivity are calculated. The phonons give a major contribution to the thermal conductivity of the compound below room temperature.

  17. Effect of Γ-X band mixing on the donor binding energy in a Quantum Wire

    NASA Astrophysics Data System (ADS)

    Vijaya Shanthi, R.; Jayakumar, K.; Nithiananthi, P.

    2015-02-01

    To invoke the technological applications of heterostructure semiconductors like Quantum Well (QW), Quantum Well Wire (QWW) and Quantum Dot (QD), it is important to understand the property of impurity energy which is responsible for the peculiar electronic & optical behavior of the Low Dimensional Semiconductor Systems (LDSS). Application of hydrostatic pressure P>35kbar drastically alters the band offsets leading to the crossover of Γ band of the well & X band of the barrier resulting in an indirect transition of the carrier and this effect has been studied experimentally and theoretically in a QW structure. In this paper, we have investigated the effect of Γ-X band mixing due to the application of hydrostatic pressure in a GaAs/AlxGa1-xAs QWW system. The results are presented and discussed for various widths of the wire.

  18. Solid-State Powered X-band Accelerator

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Othman, Mohamed A.K.; Nann, Emilio A.; Dolgashev, Valery A.

    2017-03-06

    In this report we disseminate the hot test results of an X-band 100-W solid state amplifier chain for linear accelerator (linac) applications. Solid state power amplifiers have become increasingly attractive solutions for achieving high power in radar and maritime applications. Here the performance of solid state amplifiers when driving an RF cavity is investigated. Commercially available, matched and fully-packaged GaN on SiC HEMTs are utilized, comprising a wideband driver stage and two power stages. The amplifier chain has a high poweradded- efficiency and is able to supply up to ~1.2 MV/m field gradient at 9.2 GHz in a simple testmore » cavity, with a peak power exceeding 100 W. These findings set forth the enabling technology for solid-state powered linacs.« less

  19. Multiple scattering effects on the Linear Depolarization Ratio (LDR) measured during CaPE by a Ka-band air-borne radar

    NASA Technical Reports Server (NTRS)

    Iguchi, Toshio; Meneghini, Robert

    1993-01-01

    Air-borne radar measurements of thunderstorms were made as part of the CaPE (Convection and Precipitation/Electrification) experiment in Florida in July 1991. The radar has two channels, X-band (10 GHz) and Ka-band (34.5 GHz), and is capable of measuring cross-polarized returns as well as co-polarized returns. In stratiform rain, the cross-polarized components can be observed only at the bright band region and from the surface reflection. The linear depolarization ratios (LDR's) measured at X-band and Ka-band at the bright band are nearly equal. In convective rain, however, the LDR in Ka-band often exceeds the X-band LDR by several dB, and sometimes by more than 10 dB, reaching LDR values of up to -5 dB over heavy convective rain. For randomly oriented hydrometeors, such high LDR values cannot be explained by single scattering from non-spherical scattering particles alone. Because the LDR by single backscatter depends weakly on the wavelength, the difference between the Ka-band and X-band LDR's suggests that multiple scattering effects prevail in the Ka-band LDR. In order to test this inference, the magnitude of the cross-polarized component created by double scattering was calculated using the parameters of the airborne radar, which for both frequencies has beamwidths of 5.1 degrees and pulse widths of 0.5 microsecond. Uniform rain beyond the range of 3 km is assumed.

  20. Engineering the electronic band structures of novel cubic structured germanium monochalcogenides for thermoelectric applications

    NASA Astrophysics Data System (ADS)

    Ul Haq, Bakhtiar; AlFaify, S.; Ahmed, R.; Butt, Faheem K.; Laref, A.; Goumri-Said, Souraya; Tahir, S. A.

    2018-05-01

    Germanium mono-chalcogenides have received considerable attention for being a promising replacement for the relatively toxic and expensive chalcogenides in renewable and sustainable energy applications. In this paper, we explore the potential of the recently discovered novel cubic structured (π-phase) GeS and GeSe for thermoelectric applications in the framework of density functional theory coupled with Boltzmann transport theory. To examine the modifications in their physical properties, the across composition alloying of π-GeS and π-GeSe (such as π-GeS1-xSex for x =0, 0.25, 0.50, 0.75, and 1) has been performed that has shown important effects on the electronic band structures and effective masses of charge carriers. An increase in Se composition in π-GeS1-xSex has induced a downward shift in their conduction bands, resulting in the narrowing of their energy band gaps. The thermoelectric coefficients of π-GeS1-xSex have been accordingly influenced by the evolution of the electronic band structures and effective masses of charge carriers. π-GeS1-xSex features sufficiently larger values of Seebeck coefficients, power factors and figures of merit (ZTs), which experience further improvement with an increase in temperature, revealing their potential for high-temperature applications. The calculated results show that ZT values equivalent to unity can be achieved for π-GeS1-xSex at appropriate n-type doping levels. Our calculations for the formation enthalpies indicate that a π-GeS1-xSex alloying system is energetically stable and could be synthesized experimentally. These intriguing characteristics make π-GeS1-xSex a promising candidate for futuristic thermoelectric applications in energy harvesting devices.

  1. Effect of hydrostatic pressure and uniaxial strain on the electronic structure of Pb 1-xSn xTe

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Geilhufe, Matthias; Nayak, Sanjeev K.; Thomas, Stefan

    2015-12-09

    The electronic structure of Pb 1–xSn xTe is studied by using the relativistic Korringa-Kohn-Rostoker Green function method in the framework of density functional theory. For all concentrations x, Pb 1–xSn xTe is a direct semiconductor with a narrow band gap. In contrast to pure lead telluride, tin telluride shows an inverted band characteristic close to the Fermi energy. It will be shown that this particular property can be tuned, first, by alloying PbTe and SnTe and, second, by applying hydrostatic pressure or uniaxial strain. Furthermore, the magnitude of strain needed to switch between the regular and inverted band gap canmore » be tuned by the alloy composition. In conclusion, there is a range of potential usage of Pb 1–xSn xTe for spintronic applications.« less

  2. Synthesis and enhanced electrochemical catalytic performance of monolayer WS2(1-x) Se2x with a tunable band gap.

    PubMed

    Fu, Qi; Yang, Lei; Wang, Wenhui; Han, Ali; Huang, Jian; Du, Pingwu; Fan, Zhiyong; Zhang, Jingyu; Xiang, Bin

    2015-08-26

    The first realization of a tunable band-gap in monolayer WS2(1-x) Se2x is demonstrated. The tuning of the bandgap exhibits a strong dependence of S and Se content, as proven by PL spectroscopy. Because of its remarkable electronic structure, monolayer WS2(1-x) Se2x exhibits novel electrochemical catalytic activity and offers long-term electrocatalytic stability for the hydrogen evolution reaction. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Electronic band structure and optical gain of GaN{sub x}Bi{sub y}As{sub 1−x−y}/GaAs pyramidal quantum dots

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Song, Zhi-Gang; State Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083; Bose, Sumanta

    The electronic band structure and optical gain of GaN{sub x}Bi{sub y}As{sub 1−x−y}/GaAs pyramidal quantum dots (QDs) are investigated using the 16-band k ⋅ p model with constant strain. The optical gain is calculated taking both homogeneous and inhomogeneous broadenings into consideration. The effective band gap falls as we increase the composition of nitrogen (N) and bismuth (Bi) and with an appropriate choice of composition we can tune the emission wavelength to span within 1.3 μm–1.55 μm, for device application in fiber technology. The extent of this red shift is more profound in QDs compared with bulk material due to quantum confinement. Othermore » factors affecting the emission characteristics include virtual crystal, strain profile, band anticrossing (BAC), and valence band anticrossing (VBAC). The strain profile has a profound impact on the electronic structure, specially the valence band of QDs, which can be determined using the composition distribution of wave functions. All these factors eventually affect the optical gain spectrum. With an increase in QD size, we observe a red shift in the emission energy and emergence of secondary peaks owing to transitions or greater energy compared with the fundamental transition.« less

  4. Model development for MODIS thermal band electronic cross-talk

    NASA Astrophysics Data System (ADS)

    Chang, Tiejun; Wu, Aisheng; Geng, Xu; Li, Yonghong; Brinkmann, Jake; Keller, Graziela; Xiong, Xiaoxiong (Jack)

    2016-10-01

    MODerate-resolution Imaging Spectroradiometer (MODIS) has 36 bands. Among them, 16 thermal emissive bands covering a wavelength range from 3.8 to 14.4 μm. After 16 years on-orbit operation, the electronic crosstalk of a few Terra MODIS thermal emissive bands develop substantial issues which cause biases in the EV brightness temperature measurements and surface feature contamination. The crosstalk effects on band 27 with center wavelength at 6.7 μm and band 29 at 8.5 μm increased significantly in recent years, affecting downstream products such as water vapor and cloud mask. The crosstalk issue can be observed from nearly monthly scheduled lunar measurements, from which the crosstalk coefficients can be derived. Most of MODIS thermal bands are saturated at moon surface temperatures and the development of an alternative approach is very helpful for verification. In this work, a physical model was developed to assess the crosstalk impact on calibration as well as in Earth view brightness temperature retrieval. This model was applied to Terra MODIS band 29 empirically for correction of Earth brightness temperature measurements. In the model development, the detector nonlinear response is considered. The impacts of the electronic crosstalk are assessed in two steps. The first step consists of determining the impact on calibration using the on-board blackbody (BB). Due to the detector nonlinear response and large background signal, both linear and nonlinear coefficients are affected by the crosstalk from sending bands. The crosstalk impact on calibration coefficients was calculated. The second step is to calculate the effects on the Earth view brightness temperature retrieval. The effects include those from affected calibration coefficients and the contamination of Earth view measurements. This model links the measurement bias with crosstalk coefficients, detector nonlinearity, and the ratio of Earth measurements between the sending and receiving bands. The correction

  5. Probing the Electronic Structure of - and Electron-Doped High-Temperature Superconductors with Photoemission and X-Ray Absorption Spectroscopies

    NASA Astrophysics Data System (ADS)

    Lederman, Eli R.

    1990-01-01

    The electronic structures of hole- and electron -doped high temperature superconductors have been probed using x-ray absorption near-edge spectroscopy (XANES) and photoelectron emission spectroscopy (PES). These measurements have been performed on RBa_2Cu _3O_{rm 7-y} , La_{rm 2-x}Sr _{rm x}CuO _4 and Ln_{rm 2 -x}Ce_{rm x} CuO_{rm 4} for R = Y, Eu and Ln = Nd, Pr and Sm. The parameters x and y have been varied to include a range of hole and electron carrier densities and the undoped parent compounds. Previous XANES and PES results have indicated that unoccupied states of O 2p character can be associated with the carriers in the materials RBa_2 Cu_3O_{ rm 7-y} and La_{ rm 2-x}Sr_{rm x}CuO_4 and that the density of holes increases with O and Sr content, respectively. Conduction was hole-based in all known high-T_{ rm c} cuprates until the recent discovery of superconductivity in Ln_{rm 2-x}Ce_{rm x} CuO_4. Hall coefficient measurements have suggested that the carriers in this system are electrons added with Ce doping. It has been anticipated that these electron-doped materials will provide an important test for models of high temperature superconductivity. PES measurements are presented that show significant Cu 3d character in the valence band of these electron-based materials, but that the Cu^{2+} /Cu^{1+} ratio is unchanged by the level of Ce doping, indicating that doped electrons are itinerant rather than highly correlated. Resonant photoemission from the valence band indicates the presence of unoccupied O 2p states, but these holes are less abundant than in the hole-doped materials. Measurements of XANES at the O 1s edge suggest that unoccupied states of O 2p character in the electron -doped materials are not related to conduction in a simple way. The density of these holes is shown to decrease upon Ce doping and the process of reduction, despite the fact that both are necessary of superconductivity. Furthermore, whereas the O 2p holes are at E_{rm F} in the

  6. Electronic Structures of Strained InAs x P1-x by Density Functional Theory.

    PubMed

    Lee, Seung Mi; Kim, Min-Young; Kim, Young Heon

    2018-09-01

    We investigated the effects of strain on the electronic structures of InAsxP1-x using quantum mechanical density functional theory calculations. The electronic band gap and electron effective mass decreased with the increase of the uniaxial tensile strain along the [0001] direction of wurtzite InAs0.75P0.25. Therefore, faster electron movements are expected. These theoretical results are in good agreement with the experimental measurements of InAs0.75P0.25 nanowire.

  7. Electron momentum density and band structure calculations of α- and β-GeTe

    NASA Astrophysics Data System (ADS)

    Vadkhiya, Laxman; Arora, Gunjan; Rathor, Ashish; Ahuja, B. L.

    2011-12-01

    We have measured isotropic experimental Compton profile of α-GeTe by employing high energy (662 keV) γ-radiation from a 137Cs isotope. To compare our experiment, we have also computed energy bands, density of states, electron momentum densities and Compton profiles of α- and β-phases of GeTe using the linear combination of atomic orbitals method. The electron momentum density is found to play a major role in understanding the topology of bands in the vicinity of the Fermi level. It is seen that the density functional theory (DFT) with generalised gradient approximation is relatively in better agreement with the experiment than the local density approximation and hybrid Hartree-Fock/DFT.

  8. Electronic structure and linear optical properties of ZnSe and ZnSe:Mn.

    PubMed

    Su, Kang; Wang, Yuhua

    2010-03-01

    As an important wide band-gap II-VI semiconductor, ZnSe has attracted much attention for its various applications in photo-electronic devices such as blue light-emitting diodes and blue-green diode lasers. Mn-doped ZnSe is an excellent quantum dot material. The electronic structures of the sphalerite ZnSe and ZnSe:Mn were calculated using the Vienna ab initio Simulation Package with ultra-soft pseudo potentials and Material Studio. The calculated equilibrium lattice constants agree well with the experimental values. Using the optimized equilibrium lattice constants, the densities of states and energy band structures were further calculated. By analyzing the partial densities of states, the contributions of different electron states in different atoms were estimated. The p states of Zn mostly contribute to the top of the valence band, and the s states of Zn and the s states of Se have major effects on the bottom of the conduction band. The calculated results of ZnSe:Mn show the band gap was changed from 2.48 to 1.1 eV. The calculated linear optical properties, such as refractive index and absorption spectrum, are in good agreement with experimental values.

  9. X-Band RF Gun Development

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vlieks, Arnold; Dolgashev, Valery; Tantawi, Sami

    In support of the MEGa-ray program at LLNL and the High Gradient research program at SLAC, a new X-band multi-cell RF gun is being developed. This gun, similar to earlier guns developed at SLAC for Compton X-ray source program, will be a standing wave structure made of 5.5 cells operating in the pi mode with copper cathode. This gun was designed following criteria used to build SLAC X-band high gradient accelerating structures. It is anticipated that this gun will operate with surface electric fields on the cathode of 200 MeV/m with low breakdown rate. RF will be coupled into themore » structure through a final cell with symmetric duel feeds and with a shape optimized to minimize quadrupole field components. In addition, geometry changes to the original gun, operated with Compton X-ray source, will include a wider RF mode separation, reduced surface electric and magnetic fields.« less

  10. Inter-spin distance determination using L-band (1-2 GHz) non-adiabatic rapid sweep electron paramagnetic resonance (NARS EPR)

    PubMed Central

    Kittell, Aaron W.; Hustedt, Eric J.; Hyde, James S.

    2014-01-01

    Site-directed spin-labeling electron paramagnetic resonance (SDSL EPR) provides insight into the local structure and motion of a spin probe strategically attached to a molecule. When a second spin is introduced to the system, macromolecular information can be obtained through measurement of inter-spin distances either by continuous wave (CW) or pulsed electron double resonance (ELDOR) techniques. If both methodologies are considered, inter-spin distances of 8 to 80 Å can be experimentally determined. However, there exists a region at the upper limit of the conventional X-band (9.5 GHz) CW technique and the lower limit of the four-pulse double electron-electron resonance (DEER) experiment where neither method is particularly reliable. The work presented here utilizes L-band (1.9 GHz) in combination with non-adiabatic rapid sweep (NARS) EPR to address this opportunity by increasing the upper limit of the CW technique. Because L-band linewidths are three to seven times narrower than those at X-band, dipolar broadenings that are small relative to the X-band inhomogeneous linewidth become observable, but the signal loss due to the frequency dependence of the Boltzmann factor, has made L-band especially challenging. NARS has been shown to increase sensitivity by a factor of five, and overcomes much of this loss, making L-band distance determination more feasible [1]. Two different systems are presented and distances of 18–30 Å have been experimentally determined at physiologically relevant temperatures. Measurements are in excellent agreement with a helical model and values determined by DEER. PMID:22750251

  11. Electronic, Spectral, and Electrochemical Properties of (TPPBr(x)())Zn Where TPPBr(x)() Is the Dianion of beta-Brominated-Pyrrole Tetraphenylporphyrin and x Varies from 0 to 8.

    PubMed

    D'Souza, Francis; Zandler, Melvin E.; Tagliatesta, Pietro; Ou, Zhongping; Shao, Jianguo; Van Caemelbecke, Eric; Kadish, Karl M.

    1998-09-07

    The electronic, spectral, and electrochemical characterization of (meso-tetraphenylporphyrinato)zinc(II) complexes bearing between 0 and 8 bromo substituents at the beta-pyrrole positions is reported. The investigated compounds are represented as (TPPBr(x)())Zn where TPPBr(x)() is the dianion of brominated 5,10,15,20-tetraphenylporphyrin and x varies between 0 and 8. Each porphyrin undergoes four well-defined one-electron transfer reactions to yield porphyrin pi-cation radicals and dications upon oxidation and porphyrin pi-anion radicals and dianions upon reduction. Half-wave potentials for the first reduction of (TPPBr(x)())Zn can be described by a single linear free energy relationship, and plots of E(1/2) versus the number of Br groups on the complex show a linear correlation with a positive slope of 63 mV per Br group. This is not the case for the other three electron transfer processes of the compounds where plots of E(1/2) versus the number of Br groups show distinctly different linear correlations for derivatives with 0-4 Br groups and those with 4-8 Br groups. The effect of increasing number of Br groups on the spectral and electrochemical properties of the neutral complexes was examined over the whole series of compounds, and these experimental results are compared to results of theoretical calculations by semiempirical molecular orbital AM1 methods using configurational interactions (CI) over the four Gouterman frontier pi-orbitals. The dihedral angle containing the four porphyrin macrocycle ring nitrogens is proposed as a measure of porphyrin ring nonplanarity, and this value increases with increasing number of Br substituents on (TPPBr(x)())Zn. Results of the AM1-CI = 4 calculations indicate that the spectrally determined HOMO-LUMO gap, i.e., the energy corresponding to the low-energy absorption band, varies in a nonlinear fashion with increasing number of Br substituents on the macrocycle and this is due to both the electronic effect of the

  12. Origin of background electron concentration in In xGa 1-xN alloys

    DOE PAGES

    Pantha, B. N.; Wang, H.; Khan, N.; ...

    2011-08-15

    The origin of high background electron concentration (n) in In xGa 1-xN alloys has been investigated. A shallow donor was identified as having an energy level (E D1) that decreases with x (E D1 = 16 meV at x = 0 and E D1 = 0 eV at x ~ 0.5) and that crossover the conduction band at x ~ 0.5. This shallow donor is believed to be the most probable cause of high n in InGaN. This understanding is consistent with the fact that n increases sharply with an increase in x and becomes constant for x > 0.5.more » A continuous reduction in n was obtained by increasing the V/III ratio during the epilayer growth, suggesting that nitrogen vacancy-related impurities are a potential cause of the shallow donors and high background electron concentration in InGaN« less

  13. Ultra-High Gradient S-band Linac for Laboratory and Industrial Applications

    NASA Astrophysics Data System (ADS)

    Faillace, L.; Agustsson, R.; Dolgashev, V.; Frigola, P.; Murokh, A.; Rosenzweig, J.; Yakimenko, V.

    2010-11-01

    A strong demand for high gradient structures arises from the limited real estate available for linear accelerators. RadiaBeam Technologies is developing a Doubled Energy Compact Accelerator (DECA) structure: an S-band standing wave electron linac designed to operate at accelerating gradients of up to 50 MV/m. In this paper, we present the radio-frequency design of the DECA S-band accelerating structure, operating at 2.856 GHz in the π-mode. The structure design is heavily influenced by NLC collaboration experience with ultra high gradient X-band structures; S-band, however, is chosen to take advantage of commonly available high power S-band klystrons.

  14. Towards band structure and band offset engineering of monolayer Mo(1-x)W(x)S2 via Strain

    NASA Astrophysics Data System (ADS)

    Kim, Joon-Seok; Ahmad, Rafia; Pandey, Tribhuwan; Rai, Amritesh; Feng, Simin; Yang, Jing; Lin, Zhong; Terrones, Mauricio; Banerjee, Sanjay K.; Singh, Abhishek K.; Akinwande, Deji; Lin, Jung-Fu

    2018-01-01

    Semiconducting transition metal dichalcogenides (TMDs) demonstrate a wide range of optoelectronic properties due to their diverse elemental compositions, and are promising candidates for next-generation optoelectronics and energy harvesting devices. However, effective band offset engineering is required to implement practical structures with desirable functionalities. Here, we explore the pressure-induced band structure evolution of monolayer WS2 and Mo0.5W0.5S2 using hydrostatic compressive strain applied in a diamond anvil cell (DAC) apparatus and theoretical calculations, in order to study the modulation of band structure and explore the possibility of band alignment engineering through different compositions. Higher W composition in Mo(1-x)W(x)S2 contributes to a greater pressure-sensitivity of direct band gap opening, with a maximum value of 54 meV GPa-1 in WS2. Interestingly, while the conduction band minima (CBMs) remains largely unchanged after the rapid gap increase, valence band maxima (VBMs) significantly rise above the initial values. It is suggested that the pressure- and composition-engineering could introduce a wide variety of band alignments including type I, type II, and type III heterojunctions, and allow to construct precise structures with desirable functionalities. No structural transition is observed during the pressure experiments, implying the pressure could provide selective modulation of band offset.

  15. Search for the OH (X(2)Pi) Meinel band emission in meteors as a tracer of mineral water in comets: detection of N(2)(+) (A-X)

    NASA Technical Reports Server (NTRS)

    Jenniskens, Peter; Laux, Christophe O.

    2004-01-01

    We report the discovery of the N(2)(+) A-X Meinel band in the 780-840 nm meteor emission from two Leonid meteoroids that were ejected less than 1000 years ago by comet 55P/Tempel-Tuttle. Our analysis indicates that the N(2)(+) molecule is at least an order of magnitude less abundant than expected, possibly as a result of charge transfer reactions with meteoric metal atoms. This new band was found while searching for rovibrational transitions in the X(2)Pi electronic ground state of OH (the OH Meinel band), a potential tracer of water bound to minerals in cometary matter. The electronic A-X transition of OH has been identified in other Leonid meteors. We did not detect this OH Meinel band, which implies that the excited A state is not populated by thermal excitation but by a mechanism that directly produces OH in low vibrational levels of the excited A(2)Sigma state. Ultraviolet dissociation of atmospheric or meteoric water vapor is such a mechanism, as is the possible combustion of meteoric organics.

  16. Multi-band Electronic Structure of Ferromagnetic CeRuPO

    NASA Astrophysics Data System (ADS)

    Takahashi, Masaya; Ootsuki, Daiki; Horio, Masafumi; Arita, Masashi; Namatame, Hirofumi; Taniguchi, Masaki; Saini, Naurang L.; Sugawara, Hitoshi; Mizokawa, Takashi

    2018-04-01

    We have studied the multi-band electronic structure of ferromagnetic CeRuPO (TC = 15 K) by means of angle-resolved photoemission spectroscopy (ARPES). The ARPES results show that three hole bands exist around the zone center and two of them cross the Fermi level (EF). Around the zone corner, two electron bands are observed and cross EF. These hole and electron bands, which can be assigned to the Ru 4d bands, are basically consistent with the band-structure calculation including their orbital characters. However, one of the electron bands with Ru 4d 3z2 - r2 character is strongly renormalized indicating correlation effect due to hybridization with the Ce 4f orbitals. The Ru 4d 3z2 - r2 band changes across TC suggesting that the out-of-plane 3z2 - r2 orbital channel plays essential roles in the ferromagnetism.

  17. The quasi-linear relaxation of thick-target electron beams in solar flares

    NASA Technical Reports Server (NTRS)

    Mcclements, K. G.; Brown, J. C.; Emslie, A. G.

    1986-01-01

    The effects of quasi-linear interactions on thick-target electron beams in the solar corona are investigated. Coulomb collisions produce regions of positive gradient in electron distributions which are initially monotonic decreasing functions of energy. In the resulting two-stream instability, energy and momentum are transferred from electrons to Langmuir waves and the region of positive slope in the electron distribution is replaced by a plateau. In the corona, the timescale for this quasi-linear relaxation is very short compared to the collision time. It is therefore possible to model the effects of quasi-linear relaxation by replacing any region of positive slop in the distribution by a plateau at each time step, in such a way as to conserve particle number. The X-ray bremsstrahlung and collisional heating rate produced by a relaxed beam are evaluated. Although the analysis is strictly steady state, it is relevant to the theoretical interpretation of hard X-ray bursts with durations of the order of a few seconds (i.e., the majority of such bursts).

  18. Band gap and mobility of epitaxial perovskite BaSn1 -xHfxO3 thin films

    NASA Astrophysics Data System (ADS)

    Shin, Juyeon; Lim, Jinyoung; Ha, Taewoo; Kim, Young Mo; Park, Chulkwon; Yu, Jaejun; Kim, Jae Hoon; Char, Kookrin

    2018-02-01

    A wide band-gap perovskite oxide BaSn O3 is attracting much attention due to its high electron mobility and oxygen stability. On the other hand, BaHf O3 was recently reported to be an effective high-k gate oxide. Here, we investigate the band gap and mobility of solid solutions of BaS n1 -xH fxO3 (x =0 -1 ) (BSHO) as a basis to build advanced perovskite oxide heterostructures. All the films were epitaxially grown on MgO substrates using pulsed laser deposition. Density functional theory calculations confirmed that Hf substitution does not create midgap states while increasing the band gap. From x-ray diffraction and optical transmittance measurements, the lattice constants and the band-gap values are significantly modified by Hf substitution. We also measured the transport properties of n -type La-doped BSHO films [(Ba ,La ) (Sn ,Hf ) O3 ] , investigating the feasibility of modulation doping in the BaSn O3/BSHO heterostructures. The Hall measurement data revealed that, as the Hf content increases, the activation rate of the La dopant decreases and the scattering rate of the electrons sharply increases. These properties of BSHO films may be useful for applications in various heterostructures based on the BaSn O3 system.

  19. RF Phase Stability and Electron Beam Characterization for the PLEIADES Thomson X-Ray Source

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, W J; Hartemann, F V; Tremaine, A M

    2002-10-16

    We report on the performance of an S-band RF photocathode electron gun and accelerator for operation with the PLEIADES Thomson x-ray source at LLNL. To produce picosecond, high brightness x-ray pulses, picosecond timing, terahertz bandwidth diagnostics, and RF phase control are required. Planned optical, RF, x-ray and electron beam measurements to characterize the dependence of electron beam parameters and synchronization on RF phase stability are presented.

  20. Few-femtosecond time-resolved measurements of X-ray free-electron lasers.

    PubMed

    Behrens, C; Decker, F-J; Ding, Y; Dolgashev, V A; Frisch, J; Huang, Z; Krejcik, P; Loos, H; Lutman, A; Maxwell, T J; Turner, J; Wang, J; Wang, M-H; Welch, J; Wu, J

    2014-04-30

    X-ray free-electron lasers, with pulse durations ranging from a few to several hundred femtoseconds, are uniquely suited for studying atomic, molecular, chemical and biological systems. Characterizing the temporal profiles of these femtosecond X-ray pulses that vary from shot to shot is not only challenging but also important for data interpretation. Here we report the time-resolved measurements of X-ray free-electron lasers by using an X-band radiofrequency transverse deflector at the Linac Coherent Light Source. We demonstrate this method to be a simple, non-invasive technique with a large dynamic range for single-shot electron and X-ray temporal characterization. A resolution of less than 1 fs root mean square has been achieved for soft X-ray pulses. The lasing evolution along the undulator has been studied with the electron trapping being observed as the X-ray peak power approaches 100 GW.

  1. X-SAR: The X-band synthetic aperture radar on board the Space Shuttle

    NASA Technical Reports Server (NTRS)

    Werner, Marian U.

    1993-01-01

    The X-band synthetic aperture radar (X-SAR) is the German/Italian contribution to the NASA/JPL Shuttle Radar Lab missions as part of the preparation for the Earth Observation System (EOS) program. The Shuttle Radar Lab is a combination of several radars: an L-band (1.2 GHz) and a C-band (5.3 GHz) multipolarization SAR known as SIR-C (Shuttle Imaging Radar); and an X-band (9.6 GHz) vertically polarized SAR which will be operated synchronously over the same target areas to deliver calibrated multifrequency and multipolarization SAR data at multiple incidence angles from space. A joint German/Italian project office at DARA (German Space Agency) is responsible for the management of the X-SAR project. The space hardware has been developed and manufactured under industrial contract by Dornier and Alenia Spazio. Besides supporting all the technical and scientific tasks, DLR, in cooperation with ASI (Agencia Spaziale Italiano) is responsible for mission operation, calibration, and high precision SAR processing. In addition, DLR developed an airborne X-band SAR to support the experimenters with campaigns to prepare for the missions. The main advantage of adding a shorter wavelength (3 cm) radar to the SIR-C radars is the X-band radar's weaker penetration into vegetation and soil and its high sensitivity to surface roughness and associated phenomena. The performance of each of the three radars is comparable with respect to radiometric and geometric resolution.

  2. Electronic structure modifications and band gap narrowing in Zn0.95V0.05O

    NASA Astrophysics Data System (ADS)

    Ahad, Abdul; Majid, S. S.; Rahman, F.; Shukla, D. K.; Phase, D. M.

    2018-04-01

    We present here, structural, optical and electronic structure studies on Zn0.95V0.05O, synthesized using solid state method. Rietveld refinement of x-ray diffraction pattern indicates no considerable change in the lattice of doped ZnO. The band gap of doped sample, as calculated by Kubelka-Munk transformed reflectance spectra, has been found reduced compared to pure ZnO. Considerable changes in absorbance in UV-Vis range is observed in doped sample. V doping induced decrease in band gap is supported by x-ray absorption spectroscopy measurements. It is experimentally confirmed that conduction band edge in Zn0.95V0.05O has shifted towards Fermi level than in pure ZnO.

  3. DAC-board based X-band EPR spectrometer with arbitrary waveform control

    NASA Astrophysics Data System (ADS)

    Kaufmann, Thomas; Keller, Timothy J.; Franck, John M.; Barnes, Ryan P.; Glaser, Steffen J.; Martinis, John M.; Han, Songi

    2013-10-01

    We present arbitrary control over a homogenous spin system, demonstrated on a simple, home-built, electron paramagnetic resonance (EPR) spectrometer operating at 8-10 GHz (X-band) and controlled by a 1 GHz arbitrary waveform generator (AWG) with 42 dB (i.e. 14-bit) of dynamic range. Such a spectrometer can be relatively easily built from a single DAC (digital to analog converter) board with a modest number of stock components and offers powerful capabilities for automated digital calibration and correction routines that allow it to generate shaped X-band pulses with precise amplitude and phase control. It can precisely tailor the excitation profiles "seen" by the spins in the microwave resonator, based on feedback calibration with experimental input. We demonstrate the capability to generate a variety of pulse shapes, including rectangular, triangular, Gaussian, sinc, and adiabatic rapid passage waveforms. We then show how one can precisely compensate for the distortion and broadening caused by transmission into the microwave cavity in order to optimize corrected waveforms that are distinctly different from the initial, uncorrected waveforms. Specifically, we exploit a narrow EPR signal whose width is finer than the features of any distortions in order to map out the response to a short pulse, which, in turn, yields the precise transfer function of the spectrometer system. This transfer function is found to be consistent for all pulse shapes in the linear response regime. In addition to allowing precise waveform shaping capabilities, the spectrometer presented here offers complete digital control and calibration of the spectrometer that allows one to phase cycle the pulse phase with 0.007° resolution and to specify the inter-pulse delays and pulse durations to ⩽250 ps resolution. The implications and potential applications of these capabilities will be discussed.

  4. An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Goings, Joshua J.; Li, Xiaosong, E-mail: xsli@uw.edu

    2016-06-21

    One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entiremore » ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.« less

  5. Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I-type-II transition of natural band offsets in nonpolar zinc-blende AlxGa1 -xN /AlyGa1 -yN composites

    NASA Astrophysics Data System (ADS)

    Landmann, M.; Rauls, E.; Schmidt, W. G.

    2017-04-01

    The composition dependence of the natural band alignment at nonpolar AlxGa1 -xN /AlyGa1 -yN heterojunctions is investigated via hybrid functional based density functional theory. Accurate band-gap data are provided using Heyd-Scuseria-Ernzerhof (HSE) type hybrid functionals with a composition dependent exact-exchange contribution. The unstrained band alignment between zincblende (zb) AlxGa1 -xN semiconductor alloys is studied within the entire ternary composition range utilizing the Branch-point technique to align the energy levels related to the bulklike direct Γv→Γc and indirect, pseudodirect, respectively, Γv→Xc type transitions in zb-AlxGa1 -xN . While the zb-GaN/AlxGa1 -xN band edges consistently show a type-I alignment, the relative position of fundamental band edges changes to a type-II alignment in the Al-rich composition ranges of zb-AlxGa1 -xN /AlN and zb-AlxGa1 -xN /AlyGa1 -yN systems. The presence of a direct-indirect band-gap transition at xc=0.63 in zb-AlxGa1 -xN semiconductor alloys gives rise to a notably different composition dependence of band discontinuities in the direct and indirect energy-gap ranges. Below the critical direct-indirect Al/Ga-crossover concentration, the band offsets show a close to linear dependence on the alloy composition. In contrast, notable bowing characteristics of all band discontinuities are observed above the critical crossover composition.

  6. Impurity-Band Model for GaP1-xNx

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fluegel, B.; Zhang, Y.; Geisz, J. F.

    2005-11-01

    Low-temperature absorption studies on free-standing GaP1-xNx films provide direct experimental evidence that the host conduction-band minimum (CBM) near X1C does not plunge downward with increased nitrogen doping, contrary to what has been suggested recently; rather, it remains stationary for x up to 0.1%. This fact, combined with the results of earlier studies of the CBM at ..GAMMA.. and conduction-band edge near L, confirms that the giant bandgap lowering observed in GaP1-xNx results from a CBM that evolves purely from nitrogen impurity bands.

  7. Asymmetry induces Q-band split in the electronic excitations of magnesium porphyrin

    NASA Astrophysics Data System (ADS)

    Jiang, Xiankai; Gao, Yi; Lal, Ratnesh; Hu, Jun; Song, Bo

    2018-07-01

    The electronic excitations of magnesium porphyrin (MgP), a molecular model for understanding the physics in light harvesting by biological systems, have been studied extensively. However, the theoretical underpinning of experimental measurements is still lacking, especially about the sub-bands in absorption spectrum. Here we propose that an asymmetry of MgP based on the uneven charge distribution of pyrrole rings and the linear structure of sp hybridised orbitals in Mg can largely influence the electronic excitations. Upon a very weak asymmetry of Mg-pyrrole bindings in MgP being introduced through the uneven distribution of charge, three different excitations are observed in the Q-band region of the experimental spectrum. Additionally, the predicted B-band excitations are highly correlated (10-2 eV level) with experimental measurements. In contrast, without this asymmetry, there are only two degenerate excitations in the Q-band region, and low agreement (10-1 eV level) of the B-band excitations with the experiment. The key physics of the unexpected and observable asymmetry in MgP is the ability of Mg to form sp hybridised orbitals on the third shell upon Mg binding to the nitrogen of pyrrole ring. Our findings provide new insight for high-energy efficiency of natural as well as artificial light-harvesting system for energy challenge.

  8. Evolution of the electronic structure of La2-xSrxCuO4 with doping determined by positron-annihilation spectroscopy

    NASA Astrophysics Data System (ADS)

    Howell, R. H.; Sterne, P. A.; Fluss, M. J.; Kaiser, J. H.; Kitazawa, K.; Kojima, H.

    1994-05-01

    We have measured and calculated the electron-positron momentum distribution of La2-xSrxCuO4 samples for Sr concentrations of 0, 0.1, 0.13, and 0.2. Measured distributions were obtained at room temperature with high statistical precision, greater than 4×108 events, in the Lawrence Livermore National Laboratory positron-annihilation angular correlation spectrometer on single-crystal samples fabricated using the traveling solvent floating zone technique. Corresponding theoretical momentum-density calculations were performed using the linear muffin-tin-orbital method. The momentum distribution of all samples contained features derived from the overlap of the positron distribution with the valence electrons. In addition, discontinuities typical of a Fermi surface are seen in the doped samples. The form and position of these features are in general agreement with the Fermi surface and overall momentum distributions as predicted by band theory. However, the evolution of the Fermi surface with doping differed significantly from expectations based on single electron band theories.

  9. Effects of uniaxial strain on electron effective mass and tunneling capability of direct gap Ge{sub 1−x}Sn{sub x} alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Lei; Liang, Renrong, E-mail: liangrr@tsinghua.edu.cn; Wang, Jing

    2016-01-15

    Direct gap Ge{sub 1−x}Sn{sub x} alloys under [100] and [110] uniaxial strain are comprehensively investigated by theoretical calculations using the nonlocal empirical pseudopotential method (EPM). It is shown that [100] uniaxial tensile strain aids indirect-to-direct gap transition in Ge{sub 1−x}Sn{sub x} alloys. The Γ electron effective mass along the optimal direction under [110] uniaxial strain is smaller than those under [100] uniaxial strain and (001) biaxial strain. Additionally, the direct tunneling gap is smallest along the strain-perpendicular direction under [110] uniaxial tensile strain, resulting in a maximum direct band-to-band tunneling generation rate. An optimal [110] uniaxial tensile strain is favorablemore » for high-performance direct gap Ge{sub 1−x}Sn{sub x} electronic devices.« less

  10. Electron currents associated with an auroral band

    NASA Technical Reports Server (NTRS)

    Spiger, R. J.; Anderson, H. R.

    1975-01-01

    Measurements of electron pitch angle distributions and energy spectra over a broad auroral band were used to calculate net electric current carried by auroral electrons in the vicinity of the band. The particle energy spectrometers were carried by a Nike-Tomahawk rocket launched from Poker Flat, Alaska, at 0722 UT on February 25, 1972. Data are presented which indicate the existence of upward field-aligned currents of electrons in the energy range 0.5-20 keV. The spatial relationship of these currents to visual structure of the auroral arc and the characteristics of the electrons carrying the currents are discussed.

  11. Stability and Elastic, Electronic, and Thermodynamic Properties of Fe2TiSi1- x Sn x Compounds

    NASA Astrophysics Data System (ADS)

    Jong, Ju-Yong; Yan, Jihong; Zhu, Jingchuan; Kim, Chol-Jin

    2017-10-01

    We have systematically studied the structural, phase, and mechanical stability and elastic, electronic, and thermodynamic properties of Fe2TiSi1- x Sn x ( x = 0, 0.25, 0.5, 0.75, 1) compounds using first-principles calculations. The structural and phase stability and elastic properties of Fe2TiSi1- x Sn x ( x = 0, 0.25, 0.5, 0.75, 1) indicated that all of the compounds are thermodynamically and mechanically stable. The shear modulus, bulk modulus, Young's modulus, Poisson's ratio, electronic band structure, density of states, Debye temperature, and Grüneisen parameter of all the substituted compounds were studied. The results show that Sn substitution in Fe2TiSi enhances its stability and mechanical and thermoelectric properties. The Fe2TiSi1- x Sn x compounds have narrow bandgap from 0.144 eV and 0.472 eV for Sn substitution from 0 to 1. The calculated band structure and density of states (DOS) of Fe2TiSi1- x Sn x show that the thermoelectric properties can be improved at substituent concentration x of 0.75. The lattice thermal conductivity was significantly decreased in the Sn-substituted compounds, and all the results indicate that Fe2TiSi0.25Sn0.75 could be a new candidate high-performance thermoelectric material.

  12. Role of Electronic Structure In Ion Band State Theory of Low Energy Nuclear Reactions

    NASA Astrophysics Data System (ADS)

    Chubb, Scott

    2004-03-01

    The Nuts and Bolts of our Ion Band State (IBS) theory of low energy nuclear reactions (LENR's) in palladium-deuteride (PdD) and palladium-hydride (PdH) are the electrons that hold together or tear apart the bonds (or lack of bonds) between deuterons (d's) or protons (p's) and the host material. In PdDx and PdH_x, this bonding is strongly correlated with loading: in ambient loading conditions (x< 0. 6), the bonding in hibits IBS occupation. As x arrow 1, slight increases and decreases in loading can lead to vibrations (which have conventionally been thought to occur from phonons) that can induce potential losses or increases of p/d. Naive assumptions about phonons fail to include these losses and increases. These effects can occur because neither H or D has core electrons and because in either PdD or PdH, the electrons near the Fermi Energy have negligible overlap with the nucleus of either D or H. I use these ideas to develop a formal justification, based on a generalization of conventional band theory (Scott Chubb, "Semi-Classical Conduction of Charged and Neutral Particles in Finite Lattices," 2004 March Meeting."), for the idea that occupation of IBS's can occur and that this can lead to nuclear reactions.

  13. Energy-band alignment of (HfO2)x(Al2O3)1-x gate dielectrics deposited by atomic layer deposition on β-Ga2O3 (-201)

    NASA Astrophysics Data System (ADS)

    Yuan, Lei; Zhang, Hongpeng; Jia, Renxu; Guo, Lixin; Zhang, Yimen; Zhang, Yuming

    2018-03-01

    Energy band alignments between series band of Al-rich high-k materials (HfO2)x(Al2O3)1-x and β-Ga2O3 are investigated using X-Ray Photoelectron Spectroscopy (XPS). The results exhibit sufficient conduction band offsets (1.42-1.53 eV) in (HfO2)x(Al2O3)1-x/β-Ga2O3. In addition, it is also obtained that the value of Eg, △Ec, and △Ev for (HfO2)x(Al2O3)1-x/β-Ga2O3 change linearly with x, which can be expressed by 6.98-1.27x, 1.65-0.56x, and 0.48-0.70x, respectively. The higher dielectric constant and higher effective breakdown electric field of (HfO2)x(Al2O3)1-x compared with Al2O3, coupled with sufficient barrier height and lower gate leakage makes it a potential dielectric for high voltage β-Ga2O3 power MOSFET, and also provokes interest in further investigation of HfAlO/β-Ga2O3 interface properties.

  14. Ab initio investigation of the structural and electronic properties of the MgFBrxCl1-x quaternary alloy

    NASA Astrophysics Data System (ADS)

    Mokhtari, Ali; Alidoosti, Mohammad

    2014-11-01

    In the present work, we have performed first principles calculations to study the structural and electronic properties of the MgFBrxCl1-x quaternary alloys using the pseudo-potential plane wave approach within the framework of density functional theory. By using the optimized initial parameters, we have obtained the physical quantities such as equilibrium lattice constants a and c, cohesive energy and band gap and then fitted the results by a quadratic expression for all x compositions. The results of bulk modulus exhibit nearly linear concentration dependence (LCD) but other quantities show nonlinear dependence. Finally, we have calculated the total and angular momentum decomposed (partial) density of states and determined the contributions of different orbitals of each atoms.

  15. Theoretical band structure of the superconducting antiperovskite oxide Sr3-xSnO

    NASA Astrophysics Data System (ADS)

    Ikeda, Atsutoshi; Fukumoto, Toshiyuki; Oudah, Mohamed; Hausmann, Jan Niklas; Yonezawa, Shingo; Kobayashi, Shingo; Sato, Masatoshi; Tassel, Cédric; Takeiri, Fumitaka; Takatsu, Hiroshi; Kageyama, Hiroshi; Maeno, Yoshiteru

    2018-05-01

    In order to investigate the position of the strontium deficiency in superconductive Sr3-xSnO, we synthesized and measured X-ray-diffraction patterns of Sr3-xSnO (x ∼ 0.5). Because no clear peaks originating from superstructures were observed, strontium deficiency is most likely to be randomly distributed. We also performed first-principles band-structure calculations on Sr3-xSnO (x = 0, 0.5) using two methods: full-potential linearized-augmented plane-wave plus local orbitals method and the Korringa-Kohn-Rostoker Green function method combined with the coherent potential approximation. We revealed that the Fermi energy of Sr3-xSnO in case of x ∼ 0.5 is about 0.8 eV below the original Fermi energy of the stoichiometric Sr3SnO, where the mixing of the valence p and conduction d orbitals are considered to be small.

  16. Electronic structure and thermoelectric properties of half-Heusler compounds with eight electron valence count—KScX (X = C and Ge)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ciftci, Yasemin O.; Mahanti, Subhendra D.

    Electronic band structure and structural properties of two representative half-Heusler (HH) compounds with 8 electron valence count (VC), KScC and KScGe, have been studied using first principles methods within density functional theory and generalized gradient approximation. These systems differ from the well studied class of HH compounds like ZrNiSn and ZrCoSb which have VC = 18 because of the absence of d electrons of the transition metal atoms Ni and Co. Electronic transport properties such as Seebeck coefficient (S), electrical conductivity (σ), electronic thermal conductivity (κ{sub e}) (the latter two scaled by electronic relaxation time), and the power factor (S{sup 2}σ) havemore » been calculated using semi-classical Boltzmann transport theory within constant relaxation time approximation. Both the compounds are direct band gap semiconductors with band extrema at the X point. Their electronic structures show a mixture of heavy and light bands near the valance band maximum and highly anisotropic conduction and valence bands near the band extrema, desirable features of good thermoelectric. Optimal p- or n-type doping concentrations have been estimated based on thermopower and maximum power factors. The optimum room temperature values of S are ∼1.5 times larger than that of the best room temperature thermoelectric Bi{sub 2}Te{sub 3}. We also discuss the impact of the band structure on deviations from Weidemann-Franz law as one tunes the chemical potential across the band gap.« less

  17. Band gap tuning of amorphous Al oxides by Zr alloying

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Canulescu, S., E-mail: stec@fotonik.dtu.dk; Schou, J.; Jones, N. C.

    2016-08-29

    The optical band gap and electronic structure of amorphous Al-Zr mixed oxides with Zr content ranging from 4.8 to 21.9% were determined using vacuum ultraviolet and X-ray absorption spectroscopy. The light scattering by the nano-porous structure of alumina at low wavelengths was estimated based on the Mie scattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on the Zr content deviates from linearity and decreases from 7.3 eV for pure anodized Al{sub 2}O{sub 3} to 6.45 eV for Al-Zr mixed oxides with a Zr content of 21.9%. With increasing Zr content, the conduction band minimum changes non-linearlymore » as well. Fitting of the energy band gap values resulted in a bowing parameter of ∼2 eV. The band gap bowing of the mixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction band minimum of anodized Al{sub 2}O{sub 3}.« less

  18. Room-Temperature-Synthesized High-Mobility Transparent Amorphous CdO-Ga2O3 Alloys with Widely Tunable Electronic Bands.

    PubMed

    Liu, Chao Ping; Ho, Chun Yuen; Dos Reis, Roberto; Foo, Yishu; Guo, Peng Fei; Zapien, Juan Antonio; Walukiewicz, Wladek; Yu, Kin Man

    2018-02-28

    In this work, we have synthesized Cd 1-x Ga x O 1+δ alloy thin films at room temperature over the entire composition range by radio frequency magnetron sputtering. We found that alloy films with high Ga contents of x > 0.3 are amorphous. Amorphous Cd 1-x Ga x O 1+δ alloys in the composition range of 0.3 < x < 0.5 exhibit a high electron mobility of 10-20 cm 2 V -1 s -1 with a resistivity in the range of 10 -2 to high 10 -4 Ω cm range. The resistivity of the amorphous alloys can also be controlled over 5 orders of magnitude from 7 × 10 -4 to 77 Ω cm by controlling the oxygen stoichiometry. Over the entire composition range, these crystalline and amorphous alloys have a large tunable intrinsic band gap range of 2.2-4.8 eV as well as a conduction band minimum range of 5.8-4.5 eV below the vacuum level. Our results suggest that amorphous Cd 1-x Ga x O 1+δ alloy films with 0.3 < x < 0.4 have favorable optoelectronic properties as transparent conductors on flexible and/or organic substrates, whereas the band edges and electrical conductivity of films with 0.3 < x < 0.7 can be manipulated for transparent thin-film transistors as well as electron transport layers.

  19. First principles study on the elastic and electronic properties of CdX (X = S, Se and Te)

    NASA Astrophysics Data System (ADS)

    Sharma, Sheetal; Verma, Ajay Singh; Sarkar, Bimal Kumar; Bhandari, Rajiv; Jindal, Vijay Kumar

    2011-12-01

    Wide band gap semiconductors are emerging as a potential candidate for optically active materials in blue green spectral region and operating at high power level and high temperature. CdX, X = S, Se and Te are wide band gap semiconductors having applications in optoelectronics devices. In this paper we investigated the elastic and electronic properties of Cadmium chalcogenide (cubic zinc-blende (ZB) structure) using standard Kohn-Sham self consistent density functional theory method (DFT) that uses non conserving pseudopotentials in fully nonlocal form within the generalized gradient approximation (GGA) for the exchange-correlation potential. The independent elastic constants, C11, C12 and C44, are calculated from direct computation of stresses generated by small strains. The shear modulus and Young's modulus are estimated for CdX. Using the GGA for the exchange correlation potential, the calculated direct fundamental band gap value is in very good agreement with the measured one.

  20. X/X/Ka-band prime focus feed antenna for the Mars Observer beacon spacecraft

    NASA Technical Reports Server (NTRS)

    Stanton, P.; Reilly, H.; Esquivel, M.

    1988-01-01

    The results of an X/X/Ka-band feed design concept demonstration are presented. The purpose is to show the feasibility of adding a Ka-band beacon to the Mars Observer spacecraft. Scale model radiation patterns were made and analyzed.

  1. An X-band phase-locked relativistic backward wave oscillator

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Y.; Science and Technology on High Power Microwave Laboratory, Mianyang 621900; Li, Z. H.

    2015-08-15

    For the purpose of coherent high power microwave combining at high frequency band, an X-band phase-locked relativistic backward wave oscillator is presented and investigated. The phase-locking of the oscillator is accomplished by modulation of the electron beam before it reaches the oscillator. To produce a bunched beam with an acceptable injected RF power requirement, an overmoded input cavity is employed to provide initial density modulation. And a buncher cavity is introduced to further increase the modulation depth. When the beam enters the oscillator, the modulation depth is enough to lock the frequency and phase of the output microwave generated bymore » the oscillator. Particle-in-cell simulation shows that an input power of 90 kW is sufficient to lock the frequency and phase of 1.5 GW output microwave with locking bandwidth of 60 MHz.« less

  2. NMR studies of electronic structure in crystalline and amorphous Zr2PdH/x/

    NASA Technical Reports Server (NTRS)

    Bowman, R. C., Jr.; Johnson, W. L.; Maeland, A. J.; Rhim, W.-K.

    1983-01-01

    The proton Knight shifts and spin-lattice relaxation times have been measured in crystalline and amorphous Ze2PdH(x). Core polarization from the Zr d-band dominates the proton hyperfine interactions. The density of Fermi level d-electron states is reduced in the amorphous phase relative to the electron density in crystalline Zr2PdH(x).

  3. Structural and electronic properties of Sr{sub x}Ba{sub 1-x}SnO{sub 3} from first principles calculations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Moreira, E.; Henriques, J.M.; Azevedo, D.L.

    2012-03-15

    Neutron diffraction data for Sr{sub x}Ba{sub 1-x}SnO{sub 3} (x=0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) solid solutions were used as inputs to obtain optimized geometries and electronic properties using the density functional theory (DFT) formalism considering both the local density and generalized gradient approximations, LDA and GGA, respectively. The crystal structures and SnO{sub 6} octahedra tilting angles found after total energy minimization agree well with experiment, specially for the GGA data. Elastic constants were also obtained and compared with theoretical and experimental results for cubic BaSnO{sub 3}. While the alloys with cubic unit cell have an indirect band gap, tetragonalmore » and orthorhombic alloys exhibit direct band gaps (exception made to x=1.0). The Kohn-Sham minimum electronic band gap oscillates from 1.52 eV (cubic x=0.0, LDA) to 2.61 eV (orthorhombic x=1.0, LDA), and from 0.74 eV (cubic BaSnO{sub 3}, GGA) to 1.97 eV (orthorhombic SrSnO{sub 3}, GGA). Parabolic interpolation of bands has allowed us to estimate the effective masses for charge carriers, which are shown to be anisotropic and larger for holes. - Graphical Abstract: Highlights: Black-Right-Pointing-Pointer DFT calculations were performed on Sr{sub x}Ba{sub 1-x}SnO{sub 3} solid solutions. Black-Right-Pointing-Pointer Calculated crystal structures agree well with experiment. Black-Right-Pointing-Pointer Alloys have direct or indirect gaps depending on the Sr molar fraction. Black-Right-Pointing-Pointer The Kohn-Sham gap variation from x=0.0 to x=1.0 is close to the experimental value. Black-Right-Pointing-Pointer Carrier effective masses are very anisotropic, specially for holes.« less

  4. Standard Observing Bands: Is Now the Time to Replace S/X with X/Ka?

    NASA Technical Reports Server (NTRS)

    Jacobs, C. S.; Lanyi, G. E.; Naudet, C. J.

    2004-01-01

    In this paper we will argue that the VLBI community should be developing a road map to transition from S/X to simultaneous X and Ka-band (32 GHz) observations. There are both negative and positive reasons for planning such a transition. On the negative side, we will outline concerns that S-band observations may be headed toward obsolescence. On the positive side, we will refer to evidence that X/Ka has potential for providing a more stable reference frame than S/X. We will propose timetables for a transition to X/Ka observing starting from the current status of X/Ka and plans that are now taking shape. First X/Ka fringes were obtained in 2001 with the Deep Space Network. Future plans will be discussed including a proposed X/Ka-band upgrade to the VLBA. Lastly, we will consider the need for a period of overlap between S/X and X/Ka so that the long and rich history of astrometric and geodetic VLBI is not compromised.

  5. First-Principle Electronic Properties of Dilute-P GaN(1-x)P(x) Alloy for Visible Light Emitters.

    PubMed

    Tan, Chee-Keong; Borovac, Damir; Sun, Wei; Tansu, Nelson

    2016-04-14

    A study on the electronic properties of the dilute-P GaN(1-x)P(x)alloy using First-Principle Density Functional Theory (DFT) calculations is presented. Our results indicate a band gap energy coverage from 3.645 eV to 2.697 eV, with P-content varying from 0% to 12.5% respectively. In addition, through line fitting of calculated and experimental data, a bowing parameter of 9.5 ± 0.5 eV was obtained. The effective masses for electrons and holes are analyzed, as well as the split-off energy parameters where findings indicate minimal interband Auger recombination. The alloy also possesses the direct energy band gap property, indicating its strong potential as a candidate for future photonic device applications.

  6. Large-area synthesis of monolayered MoS(2(1-x))Se(2x) with a tunable band gap and its enhanced electrochemical catalytic activity.

    PubMed

    Yang, Lei; Fu, Qi; Wang, Wenhui; Huang, Jian; Huang, Jianliu; Zhang, Jingyu; Xiang, Bin

    2015-06-21

    "Band gap engineering" in two-dimensional (2D) materials plays an important role in tailoring their physical and chemical properties. The tuning of the band gap is typically achieved by controlling the composition of the semiconductor alloys. However, large-area preparation of 2D alloys remains a major challenge. Here, we report the large-area synthesis of high-quality monolayered MoS2(1-x)Se2x with a size coverage of hundreds of microns using a chemical vapor deposition method. The photoluminescence (PL) spectroscopy results confirm the tunable band gap in MoS2(1-x)Se2x, which is modulated by varying the Se content. Atomic-scale analysis was performed and the chemical composition was characterized using high-resolution scanning transmission electron microscopy and X-ray photoemission spectroscopy. With the introduction of Se into monolayered MoS2, it leads to enhanced catalytic activity in an electrochemical reaction for hydrogen generation, compared to monolayered MoS2 and MoSe2. It is promising as a potential alternative to expensive noble metals.

  7. High-perveance W-band Sheet-beam Electron Gun Design

    DTIC Science & Technology

    2008-04-01

    APR 2008 2. REPORT TYPE 3. DATES COVERED 00-00-2008 to 00-00-2008 4. TITLE AND SUBTITLE High -perveance W- band Sheet-beam Electron Gun Design 5a...8-98) Prescribed by ANSI Std Z39-18 10.1: High -perveance W- band Sheet-beam Electron Gun Design Khanh T. Nguyen1, John Pasour, Edward L. Wright1...effects due to cathode temperature are also included in the simulation. Keywords: Sheet beam; W- band ; electron gun; high perveance; amplifiers

  8. Tunnel optical radiation in In{sub x}Ga{sub 1−x}N

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Alexandrov, Dimiter; Skerget, Shawn

    2014-02-21

    An investigation of tunnel optical radiation in epitaxial layers of n-type In{sub x}Ga{sub 1−x}N grown on p-type GaN by novel plasma based migration enhanced epitaxy is presented. Experimental results of electro-luminescence spectra for In{sub x}Ga{sub 1−x}N/p−GaN hetero-junctions were obtained and they show two well expressed optical bands - one in range 500-540 nm and other in range 550-610 nm. An interesting detail is that each band begins and ends by sharp drops of the radiation, which nearly approach zero. A theoretical investigation of the unusual behavior of these spectra was done using LCAO electron band structure calculations. The optical rangesmore » of these bands show that the radiation occurs in the In{sub x}Ga{sub 1−x}N region. In fact, substitutions of In atoms in Ga sites creates defects in the structure of In{sub x}Ga{sub 1−x}N and the corresponding LCAO matrix elements are found on this basis. The LCAO electron band structures are calculated considering the interactions between nearest-neighbor orbitals. Electron energy pockets are found in both the conduction and the valence bands at the Γ point of the electron band structures. Also it is found that these pockets are separated by distances, for which there is overlapping between the electron wave functions describing localized states belonging to the pockets, and as a result tunnel optical radiation can take place. This type of electron transition - between such a pocket in the conduction band and a pocket in the valence band - occurs in In{sub x}Ga{sub 1−x}N, causing the above described optical bands. This conclusion concurs with the fact that the shapes of these bands change with change of the applied voltage.« less

  9. X-band preamplifier filter

    NASA Technical Reports Server (NTRS)

    Manshadi, F.

    1986-01-01

    A low-loss bandstop filter designed and developed for the Deep Space Network's 34-meter high-efficiency antennas is described. The filter is used for protection of the X-band traveling wave masers from the 20-kW transmitter signal. A combination of empirical and theoretical techniques was employed as well as computer simulation to verify the design before fabrication.

  10. Composition dependence of band alignments in GaxIn1-xAsySb1-y heterojunctions lattice matched to GaSb and InAs

    NASA Astrophysics Data System (ADS)

    Shim, Kyurhee

    2013-11-01

    A theoretical model utilizing a universal tight binding method and a correlated function expansion technique is presented to calculate the valence band maximum (VBM) and the conduction band minimum (CBM) of the binary (GaAs, InAS, GaSb, and InSb) and quaternary alloy GaxIn1-xAsySb1-y systems. By organizing the relative positions of the VBM and CBM between semiconductors, the band alignments and band types in the heterojunctions are determined. A straddling (type-I) band alignment in InAs/GaAs, InSb/GaAs, and GaSb/InSb, staggered (type-II) band alignment in GaSb/GaAs, and broken (type-III) band alignment in InSb/InAs and InAs/GaSb are found respectively. In addition, the compositional variations of VBM, CBM, valence band offset, conduction band offset, and band type for the alloy GaxIn1-xAsySb1-y lattice matched on GaSb and InAs are obtained as increasing the composition x. A pronounced upward bowing for the VBM and a very slight upward bowing (almost linear) for CBM are found, respectively. By controlling the compositions (x, y), band type transitions occur. The GaxIn1-xAsySb1-y heterojunctions lattice matched to GaSb changes their band types from type-III at x ˜0→ to type-II at x = 0.07, and → to type-I at x = 0.38. In contrast, the GaxIn1-xAsySb1-y heterojunctions lattice matched to InAs changes their band types from type-II x ˜0→ to type-III at x = 0.32. Reasonable agreement is obtained between our theoretical results and existing experimental data.

  11. Band gap and band offset of (GaIn)(PSb) lattice matched to InP

    NASA Astrophysics Data System (ADS)

    Köhler, F.; Böhm, G.; Meyer, R.; Amann, M.-C.

    2005-07-01

    Metastable (GaxIn1-x)(PySb1-y) layers were grown on (001) InP substrates by gas source molecular beam epitaxy. Low-temperature photoluminescence spectroscopy was applied to these heterostructures and revealed spatially indirect band-to-band recombination of electrons localized in the InP with holes in the (GaxIn1-x)(PySb1-y). In addition, samples with layer thicknesses larger than 100nm showed direct PL across the band gap of (GaxIn1-x)(PySb1-y). Band-gap energies and band offset energies of (GaxIn1-x)(PySb1-y) relative to InP were derived from these PL data. A strong bowing parameter was observed.

  12. Effect of Isovalent Substitution on the Electronic Structure and Thermoelectric Properties of the Solid Solution α-As2Te3-xSex (0 ≤ x ≤ 1.5).

    PubMed

    Vaney, Jean-Baptiste; Delaizir, Gaëlle; Wiendlocha, Bartlomiej; Tobola, Janusz; Alleno, Eric; Piarristeguy, Andrea; Gonçalves, Antonio Pereira; Gendarme, Christine; Malaman, Bernard; Dauscher, Anne; Candolfi, Christophe; Lenoir, Bertrand

    2017-02-20

    We report on the influence of Se substitution on the electronic band structure and thermoelectric properties (5-523 K) of the solid solution α-As 2 Te 3-x Se x (0 ≤ x ≤ 1.5). All of the polycrystalline compounds α-As 2 Te 3-x Se x crystallize isostructurally in the monoclinic space group C2/m (No. 12, Z = 4). Regardless of the Se content, chemical analyses performed by scanning electron microscopy and electron probe microanalysis indicate a good chemical homogeneity, with only minute amounts of secondary phases for some compositions. In agreement with electronic band structure calculations, neutron powder diffraction suggests that Se does not randomly substitute for Te but exhibits a site preference. These theoretical calculations further predict a monotonic increase in the band gap energy with the Se content, which is confirmed experimentally by absorption spectroscopy measurements. Increasing x up to x = 1.5 leaves unchanged both the p-type character and semiconducting nature of α-As 2 Te 3 . The electrical resistivity and thermopower gradually increase with x as a result of the progressive increase in the band gap energy. Despite the fact that α-As 2 Te 3 exhibits very low lattice thermal conductivity κ L , the substitution of Se for Te further lowers κ L to 0.35 W m -1 K -1 at 300 K. The compositional dependence of the lattice thermal conductivity closely follows classical models of phonon alloy scattering, indicating that this decrease is due to enhanced point-defect scattering.

  13. Influence of Γ-X band mixing on the excited donor in a parabolic quantum well

    NASA Astrophysics Data System (ADS)

    Raghuvaran, T.; Shanthi, R. Vijaya; D'Reuben, A. Merwyn Jasper; Nithiananthi, P.

    2013-06-01

    Equally spaced energy levels of Parabolic Quantum Well are perturbed due to the application of hydrostatic pressure. It will modify the electronic and optical behavior of high Potential devices. The variation of excited state donor binding energy due to Γ-X band mixing at critical cross over pressures in a Parabolic GaAs/AlxGa1-x As quantum well has been investigated in the effective mass approximation using variational method.

  14. Short-arc orbit determination using coherent X-band ranging data

    NASA Technical Reports Server (NTRS)

    Thurman, S. W.; Mcelrath, T. P.; Pollmeier, V. M.

    1992-01-01

    The use of X-band frequencies in ground-spacecraft and spacecraft-ground telecommunication links for current and future robotic interplanetary missions makes it possible to perform ranging measurements of greater accuracy than previously obtained. It is shown that ranging data of sufficient accuracy, when acquired from multiple stations, can sense the geocentric angular position of a distant spacecraft. The application of high-accuracy S/X-band and X-band ranging to orbit determination with relatively short data arcs is investigated in planetary approach and encounter scenarios. Actual trajectory solutions for the Ulysses spacecraft constructed from S/X-band ranging and Doppler data are presented; error covariance calculations are used to predict the performance of X-band ranging and Doppler data. The Ulysses trajectory solutions indicate that the aim point for the spacecraft's February 1992 Jupiter encounter was predicted to a geocentric accuracy of 0.20 to 0.23/microrad. Explicit modeling of range bias parameters for each station pass is shown to largely remove systematic ground system calibration errors and transmission media effects from the Ulysses range measurements, which would otherwise corrupt the angle finding capabilities of the data. The Ulysses solutions were found to be reasonably consistent with the theoretical results, which suggest that angular accuracies of 0.08 to 0.1/microrad are achievable with X-band ranging.

  15. Development and application of compact and on-chip electron linear accelerators for dynamic tracking cancer therapy and DNA damage/repair analysis

    NASA Astrophysics Data System (ADS)

    Uesaka, M.; Demachi, K.; Fujiwara, T.; Dobashi, K.; Fujisawa, H.; Chhatkuli, R. B.; Tsuda, A.; Tanaka, S.; Matsumura, Y.; Otsuki, S.; Kusano, J.; Yamamoto, M.; Nakamura, N.; Tanabe, E.; Koyama, K.; Yoshida, M.; Fujimori, R.; Yasui, A.

    2015-06-01

    We are developing compact electron linear accelerators (hereafter linac) with high RF (Radio Frequency) frequency (9.3 GHz, wavelength 32.3 mm) of X-band and applying to medicine and non-destructive testing. Especially, potable 950 keV and 3.95 MeV linac X-ray sources have been developed for on-site transmission testing at several industrial plants and civil infrastructures including bridges. 6 MeV linac have been made for pinpoint X-ray dynamic tracking cancer therapy. The length of the accelerating tube is ∼600 mm. The electron beam size at the X-ray target is less than 1 mm and X-ray spot size at the cancer is less than 3 mm. Several hardware and software are under construction for dynamic tracking therapy for moving lung cancer. Moreover, as an ultimate compact linac, we are designing and manufacturing a laser dielectric linac of ∼1 MeV with Yr fiber laser (283 THz, wavelength 1.06 pm). Since the wavelength is 1.06 μm, the length of one accelerating strcture is tens pm and the electron beam size is in sub-micro meter. Since the sizes of cell and nuclear are about 10 and 1 μm, respectively, we plan to use this “On-chip” linac for radiation-induced DNA damage/repair analysis. We are thinking a system where DNA in a nucleus of cell is hit by ∼1 μm electron or X-ray beam and observe its repair by proteins and enzymes in live cells in-situ.

  16. Computational study of electronic, optical and thermoelectric properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites

    NASA Astrophysics Data System (ADS)

    Hassan, M.; Arshad, I.; Mahmood, Q.

    2017-11-01

    We report the structural, electronic, optical and thermoelectric (TE) properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites as a function of X cations belonging to the group IIA. The computations are done by using the most recently introduced modified Becke-Johnson potential. It has been observed that the cubic lattice constant increases as the cations change from Ca to Ba, consequently, the bulk modulus reduces. The bottom of conduction band shows strong hybridization between Pb-6p, O-2p and X-s states, in contrast, valence band maxima are mainly manufactured by Pb-6p states. The anti-perovskites exhibit narrow direct band gap that show an inverse relation to the static real dielectric constants that verifies Penn’s model. In addition, the X cations induced tuning of the absorption edge in the visible and the ultraviolet energy suggest optical device applications. The computed TE parameters have been found sensitive to the X cations and have been demonstrated to be best suited for the TE devices operating at high temperatures.

  17. A doubly curved reflector X-band antenna with integrated IFF array

    NASA Astrophysics Data System (ADS)

    Alia, F.; Barbati, S.

    Primary radar antennas and Identification Friend or Foe (IFF) antennas must rotate with the same speed and synchronism, so that the target echo and IFF transponder mark will appear to the operator at the same time and at the same angular direction. A doubly-curved reflector antenna with a six-element microstrip array integrated in the reflector surface is presented to meet this requirement. The main antenna operates at X-band for low angle search radar, while the secondary antenna operates at L-band for IFF functions. The new configuration minimizes masking of the X-band radiated energy as a result of the IFF L-band elements. In fact, the only effect of the microstrip array on the X-band radiation pattern is the presence of several sidelobes in the + or - 90 deg angular region. The proposed new solution is compared to three other L-band/X-band integrated antenna configurations, and is found to be more advantageous with respect to masking, mechanical aspects, and production costs.

  18. Inflatable Antenna for CubeSat: Extension of the Previously Developed S-Band Design to the X-Band

    NASA Technical Reports Server (NTRS)

    Babuscia, Alessandra; Choi, Thomas; Cheung, Kar-Ming; Thangavelautham, Jekan; Ravichandran, Mithun; Chandra, Aman

    2015-01-01

    The inflatable antenna for CubeSat is a 1 meter antenna reflector designed with one side reflective Mylar, another side clear Mylar with a patch antenna at the focus. The development of this technology responds to the increasing need for more capable communication systems to allow CubeSats to operate autonomously in interplanetary missions. An initial version of the antenna for the S-Band was developed and tested in both anechoic chamber and vacuum chamber. Recent developments in transceivers and amplifiers for CubeSat at X-band motivated the extension from the S-Band to the X-Band. This paper describes the process of extending the design of the antenna to the X-Band focusing on patch antenna redesign, new manufacturing challenges and initial results of experimental tests.

  19. Electronic and mechanical properties of ZnX (X = S, Se and Te)—An ab initio study

    NASA Astrophysics Data System (ADS)

    Verma, Ajay Singh; Sharma, Sheetal; Sarkar, Bimal Kumar; Jindal, Vijay Kumar

    2011-12-01

    Zinc chalcogenides (ZnX, X = S, Se and Te) have been increasing attention as wide and direct band gap semiconductor for blue and ultraviolet optical devices. This paper analyzes electronic and mechanical properties of these materials by ab initio pseudo-potential method that uses non conserving pseudopotentials in fully nonlocal form, as implemented in SIESTA code. In this approach the local density approximation (LDA) is used for the exchange-correlation (XC) potential. The calculations are given for band gap, elastic constants (C11, C12 and C44), shear modulus, and Young's modulus. The results are in very good agreement with previous theoretical calculations and available experimental data.

  20. The optical spectrum of ternary alloy BBi1-xAsx

    NASA Astrophysics Data System (ADS)

    Yalcin, Battal G.; Aslan, M.; Ozcan, M. H.; Rahnamaye Aliabad, H. A.

    2016-06-01

    Among the III-V semiconductors, boron BBi and BAs as well as their alloys have attracted both scientific and technological interest in recent years. We present a calculation of the structural, electronic and optical properties of ternary alloy BBi1-xAsx by means of the WIEN2k software package. The exchange-correlation potential is treated by the generalized gradient approximation (GGA) within the schema of Wu and Cohen. Also, we have used the modified Becke-Johnson (mBJ) formalism to improve the band gap results. All the calculations have been performed after geometry optimization. In this study, we have investigated structural properties such as the lattice constant (a0), bulk modulus (B0) and its pressure derivative (B‧), and calculated the electronic band structures of the studied materials. Accurate calculation of linear optical properties, such as real (ɛ 1) and imaginary (ɛ 2) dielectric functions, reflectivity (R), electron energy loss spectrum, absorption coefficient (α), refractive index (n) and sum rule (Neff) are investigated. Our obtained results for studied binary compounds, BBi and BAs, fairly coincide with other theoretical calculations and experimental measurements. According to the best of our knowledge, no experimental or theoretical data are presently available for the studied ternary alloy BBi1-xAsx (0 < x < 1). The role of electronic band structure calculation with regards to the linear optical properties of BBi1-xAsx is discussed. The effect of the spin-orbit interaction (SOI) is also investigated and found to be quite small.

  1. Elucidation of electronic structure by the analysis of hyperfine interactions: The MnH A 7Π-X 7Sigma + (0,0) band

    NASA Astrophysics Data System (ADS)

    Varberg, Thomas D.; Field, Robert W.; Merer, Anthony J.

    1991-08-01

    We present a complete analysis of the hyperfine structure of the MnH A 7Π-X 7Σ+ (0,0) band near 5680 Å, studied with sub-Doppler resolution by intermodulated fluorescence spectroscopy. Magnetic hyperfine interactions involving both the 55Mn (I=5/2) and 1H (I=1/2) nuclear spins are observed as well as 55Mn electric quadrupole effects. The manganese Fermi contact interaction in the X 7Σ+ state is the dominant contributor to the observed hyperfine splittings; the ΔF=0, ΔN=0, ΔJ=±1 matrix elements of this interaction mix the electron spin components of the ground state quite strongly at low N, destroying the ``goodness'' of J as a quantum number and inducing rotationally forbidden, ΔJ=±2 and ±3 transitions. The hyperfine splittings of over 50 rotational transitions covering all 7 spin components of both states were analyzed and fitted by least squares, allowing the accurate determination of 14 different hyperfine parameters. Using single electronic configurations to describe the A 7Π and X 7Σ+ states and Herman-Skillman atomic radial wave functions to represent the molecular orbitals, we calculated a priori values for the 55Mn and 1H hyperfine parameters which agree closely with experiment. We show that the five high-spin coupled Mn 3d electrons do not contribute to the manganese hyperfine structure but are responsible for the observed proton magnetic dipolar couplings. Furthermore, the results suggest that the Mn 3d electrons are not significantly involved in bonding and demonstrate that the molecular hyperfine interactions may be quantitatively understood using simple physical interpretations.

  2. Experimental study of an X-band phase-locked relativistic backward wave oscillator

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Y.; Science and Technology on High Power Microwave Laboratory, Mianyang 621900; Li, Z. H.

    2015-11-15

    To achieve high power microwave combined with high frequency band, an X-band phase-locked relativistic backward wave oscillator (RBWO) is proposed and investigated theoretically and experimentally using a modulated electron beam. In the device, an overmoded input cavity and a buncher cavity are employed to premodulate the electron beam. Particle-in-cell simulation shows that an input power of 90 kW is sufficient to lock the frequency and phase of 1.5 GW output microwave with the locking bandwidth of 60 MHz. Moreover, phase and frequency locking of an RBWO has been accomplished experimentally with an output power of 1.5 GW. The fluctuation of the relative phase differencemore » between output microwave and input RF signal is less than ±20° with the locking duration of about 50 ns. The input RF power required to lock the oscillator is only 90 kW.« less

  3. Proportionality between Doppler noise and integrated signal path electron density validated by differenced S-X range

    NASA Technical Reports Server (NTRS)

    Berman, A. L.

    1977-01-01

    Observations of Viking differenced S-band/X-band (S-X) range are shown to correlate strongly with Viking Doppler noise. A ratio of proportionality between downlink S-band plasma-induced range error and two-way Doppler noise is calculated. A new parameter (similar to the parameter epsilon which defines the ratio of local electron density fluctuations to mean electron density) is defined as a function of observed data sample interval (Tau) where the time-scale of the observations is 15 Tau. This parameter is interpreted to yield the ratio of net observed phase (or electron density) fluctuations to integrated electron density (in RMS meters/meter). Using this parameter and the thin phase-changing screen approximation, a value for the scale size L is calculated. To be consistent with Doppler noise observations, it is seen necessary for L to be proportional to closest approach distance a, and a strong function of the observed data sample interval, and hence the time-scale of the observations.

  4. High Power SiGe X-Band (8-10 GHz) Heterojunction Bipolar Transistors and Amplifiers

    NASA Technical Reports Server (NTRS)

    Ma, Zhenqiang; Jiang, Ningyue; Ponchak, George E.; Alterovitz, Samuel A.

    2005-01-01

    Limited by increased parasitics and thermal effects as the device size becomes large, current commercial SiGe power HBTs are difficult to operate at X-band (8-12 GHz) with adequate power added efficiencies at high power levels. We found that, by changing the heterostructure and doping profile of SiGe HBTs, their power gain can be significantly improved without resorting to substantial lateral scaling. Furthermore, employing a common-base configuration with proper doping profile instead of a common-emitter configuration improves the power gain characteristics of SiGe HBTs, which thus permits these devices to be efficiently operated at X-band. In this paper, we report the results of SiGe power HBTs and MMIC power amplifiers operating at 8-10 GHz. At 10 GHz, 22.5 dBm (178 mW) RF output power with concurrent gain of 7.32 dB is measured at the peak power-added efficiency of 20.0% and the maximum RF output power of 24.0 dBm (250 mW) is achieved from a 20 emitter finger SiGe power HBT. Demonstration of single-stage X-band medium-power linear MMIC power amplifier is also realized at 8 GHz. Employing a 10-emitter finger SiGe HBT and on-chip input and output matching passive components, a linear gain of 9.7 dB, a maximum output power of 23.4 dBm and peak power added efficiency of 16% is achieved from the power amplifier. The MMIC exhibits very low distortion with third order intermodulation (IM) suppression C/I of -13 dBc at output power of 21.2 dBm and over 20dBm third order output intercept point (OIP3).

  5. Two-band superlinear electroluminescence in GaSb based nanoheterostructures with AlSb/InAs{sub 1−x} Sb{sub x}/AlSb deep quantum well

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mikhailova, M. P.; Ivanov, E. V.; Danilov, L. V.

    2014-06-14

    We report on superlinear electroluminescent structures based on AlSb/InAs{sub 1−x}Sb{sub x}/AlSb deep quantum wells grown by MOVPE on n-GaSb:Te substrates. Dependence of the electroluminescence (EL) spectra and optical power on the drive current in nanoheterostructures with AlSb/InAs{sub 1−x}Sb{sub x}/AlSb quantum well at 77–300 K temperature range was studied. Intensive two-band superlinear EL in the 0.5–0.8 eV photon energy range was observed. Optical power enhancement with the increasing drive current at room temperature is caused by the contribution of the additional electron-hole pairs due to the impact ionization by the electrons heated at the high energy difference between AlSb and the first electronmore » level E{sub e1} in the InAsSb QW. Study of the EL temperature dependence at 90–300 K range enabled us to define the role of the first and second heavy hole levels in the radiative recombination process. It was shown that with the temperature decrease, the relation between the energies of the valence band offset and the second heavy hole energy level changes due to the temperature transformation of the energy band diagram. That is the reason why the EL spectrum revealed radiative transitions from the first electron level E{sub e1} to the first hole level E{sub h1} in the whole temperature range (90–300 K), while the emission band related with the transitions to the second hole level occurred only at T > 200 K. Comparative examination of the nanostructures with high band offsets and different interface types (AlAs-like and InSb-like) reveals more intense EL and optical power enhancement at room temperature in the case of AlAs-like interface that could be explained by the better quality of the heterointerface and more efficient hole localization.« less

  6. (abstract) Transmission Electron Microscopy of Al(sub x)Ga(sub 1-x)N/SiC Multilayer Structures Grown on Sapphire Substrates

    NASA Technical Reports Server (NTRS)

    Pike, W. T.; George, T.; Khan, M. A.; Kuznia, J. N.

    1994-01-01

    The potential of wide-band-gap III-V nitrides as ultraviolet sensors and light emitters has prompted an increasing amount of work recently, including the fabrication of the first UV sensors from as-deposited single crystal GaN. We have used high resolution transmission electron microscopy (TEM) to study the microstructure of two novel developments of wide-band-gap III-V nitrides: the growth of ultra-short period GaN/AlN superlattices; and the incorporation of SiC layers into Al(sub x)Ga(sub 1-x)N structures. By varying the relative periods in a GaN/AlN superlattice, the band gap of the composite can be tailored to lie between the elemental values of 365 nm for GaN and 200 nm for AlN. The group IV semiconductor, SiC, has a wide band-gap and has a close lattice match (less than 3 %) to Al(sub x)Ga(sub 1-x)N for growth on the basal plane. Demonstration of epitaxial growth for Al(sub x)Ga(sub 1-x)N/SiC multilayers would introduce a wide band-gap analog to the already existing family of III-V and Si(sub 1-x)Ge(sub x) heteroepitaxial growth systems. Although good quality growth of GaN on SiC substrates has been demonstrated, Al(sub x)Ga(sub 1-x)N/SiC multilayer structures have never been grown and the interfacial structure is unknown.

  7. The Cryogenic AntiCoincidence detector for ATHENA X-IFU: a scientific assessment of the observational capabilities in the hard X-ray band

    NASA Astrophysics Data System (ADS)

    D'Andrea, M.; Lotti, S.; Macculi, C.; Piro, L.; Argan, A.; Gatti, F.

    2017-12-01

    ATHENA is a large X-ray observatory, planned to be launched by ESA in 2028 towards an L2 orbit. One of the two instruments of the payload is the X-IFU: a cryogenic spectrometer based on a large array of TES microcalorimeters, able to perform integral field spectrography in the 0.2-12 keV band (2.5 eV FWHM at 6 keV). The X-IFU sensitivity is highly degraded by the particle background expected in the L2 orbit, which is induced by primary protons of both galactic and solar origin, and mostly by secondary electrons. To reduce the particle background level and enable the mission science goals, the instrument incorporates a Cryogenic AntiCoincidence detector (CryoAC). It is a 4 pixel TES based detector, placed < 1 mm below the main array. In this paper we report a scientific assessment of the CryoAC observational capabilities in the hard X-ray band (E > 10 keV). The aim of the study has been to understand if the present detector design can be improved in order to enlarge the X-IFU scientific capability on an energy band wider than the TES array. This is beyond the CryoAC baseline, being this instrument aimed to operate as anticoincidence particle detector and not conceived to perform X-ray observations.

  8. Evaluation of the JPL X-band 32 element active array. [for deep space communication

    NASA Technical Reports Server (NTRS)

    Boreham, J. F.; Postal, R. B.; Conroy, B. L.

    1979-01-01

    Tests performed on an X-band 32-element active array are described. Antenna pattern characteristics of the array were tested in its standard operating mode as well as several degraded performance modes, including failures of 1, 2, 3, 4, 8, 16, and 31 elements. Additionally, the array was characterized with the addition of a metallic shroud, and also characterized versus rf drive level and at a single off-axis electronic beamsteered position. Characterization was performed on several of the 3/4-watt, three-stage, X-band solid-state power amplifier modules. The characterization included swept amplitude response, amplitude and phase versus temperature from -20 to +60 C, and intermodulation distortion of selected modules. The array is described and conclusions and recommendations based upon the experience and results achieved are included.

  9. Ab initio electronic structure calculations for metallic intermediate band formation in photovoltaic materials

    NASA Astrophysics Data System (ADS)

    Wahnón, P.; Tablero, C.

    2002-04-01

    A metallic isolated band in the middle of the band gap of several III-V semiconductors has been predicted as photovoltaic materials with the possibility of providing substantially enhanced efficiencies. We have investigated the electronic band structures and lattice constants of GanAsmM and GanPmM with M=Sc, Ti, V, and Cr, to identify whether this isolated band is likely to exist by means of accurate calculations. For this task, we use the SIESTA program, an ab initio periodic density-functional method, fully self consistent in the local-density approximation. Norm-conserving, nonlocal pseudopotentials and confined linear combination of atomic orbitals have been used. We have carried out a case study of GanAsmTi and GanPmTi energy-band structure including analyses of the effect of the basis set, fine k-point mesh to ensure numerical convergence, structural parameters, and generalized gradient approximation for exchange and correlation corrections. We find the isolated intermediate band when one Ti atom replaces the position of one As (or P) atom in the crystal structure. For this kind of compound we show that the intermediate band relative position inside the band gap and width are sensitive to the dynamic relaxation of the crystal and the size of the basis set.

  10. Hybrid density functional study of band alignment in ZnO-GaN and ZnO-(Ga(1-x)Zn(x))(N(1-x)O(x))-GaN heterostructures.

    PubMed

    Wang, Zhenhai; Zhao, Mingwen; Wang, Xiaopeng; Xi, Yan; He, Xiujie; Liu, Xiangdong; Yan, Shishen

    2012-12-05

    The band alignment in ZnO-GaN and related heterostructures is crucial for uses in solar harvesting technology. Here, we report our density functional calculations of the band alignment and optical properties of ZnO-GaN and ZnO-(Ga(1-x)Zn(x))(N(1-x)O(x))-GaN heterostructures using a Heyd-Scuseria-Ernzerhof (HSE) hybrid functional. We found that the conventional GGA functionals underestimate not only the band gap but also the band offset of these heterostructures. Using the hybrid functional calculations, we show that the (Ga(1-x)Zn(x))(N(1-x)O(x)) solid solution has a direct band gap of about 2.608 eV, in good agreement with the experimental data. More importantly, this solid solution forms type-II band alignment with the host materials. A GaN-(Ga(1-x)Zn(x))(N(1-x)O(x))-ZnO core-shell solar cell model is presented to improve the visible light absorption ability and carrier collection efficiency.

  11. Multifunctional Binary Monolayers Ge xP y: Tunable Band Gap, Ferromagnetism, and Photocatalyst for Water Splitting.

    PubMed

    Li, Pengfei; Zhang, Wei; Li, Dongdong; Liang, Changhao; Zeng, Xiao Cheng

    2018-06-04

    The most stable structures of two-dimensional Ge x P y and Ge x As y monolayers with different stoichiometries (e.g., GeP, GeP 2 , and GeP 3 ) are explored systematically through the combination of the particle-swarm optimization technique and density functional theory optimization. For GeP 3 , we show that the newly predicted most stable C2/ m structure is 0.16 eV/atom lower in energy than the state-of-the-art P3̅m1 structure reported previously ( Nano Lett. 2017, 17, 1833). The computed electronic band structures suggest that all the stable and metastable monolayers of Ge x P y are semiconductors with highly tunable band gaps under the biaxial strain, allowing strain engineering of their band gaps within nearly the whole visible-light range. More interestingly, the hole doping can convert the C2/ m GeP 3 monolayer from nonmagnetic to ferromagnetic because of its unique valence band structure. For the GeP 2 monolayer, the predicted most stable Pmc2 1 structure is a (quasi) direct-gap semiconductor that possesses a high electron mobility of ∼800 cm 2 V -1 s -1 along the k a direction, which is much higher than that of MoS 2 (∼200 cm 2 V -1 s -1 ). More importantly, the Pmc2 1 GeP 2 monolayer not only can serve as an n-type channel material in field-effect transistors but also can be an effective catalyst for splitting water.

  12. Valence electronic structure of Ni in Ni Si alloys from relative K X-ray intensity studies

    NASA Astrophysics Data System (ADS)

    Kalayci, Y.; Aydinuraz, A.; Tugluoglu, B.; Mutlu, R. H.

    2007-02-01

    The Kβ-to-Kα X-ray intensity ratio of Ni in Ni 3Si, Ni 2Si and NiSi has been determined by energy dispersive X-ray fluorescence technique. It is found that the intensity ratio of Ni decreases from pure Ni to Ni 2Si and then increases from Ni 2Si to NiSi, in good agreement with the electronic structure calculations cited in the literature. We have also performed band structure calculations for pure Ni in various atomic configurations by means of linear muffin-tin orbital method and used this data with the normalized theoretical intensity ratios cited in the literature to estimate the 3d-occupation numbers of Ni in Ni-Si alloys. It is emphasized that investigation of alloying effect in terms of X-ray intensity ratios should be carried out for the stoichiometric alloys in order to make reliable and quantitative comparisons between theory and experiment in transition metal alloys.

  13. Structural, electronic and magnetic properties of Cd1-xTMxS (TM=Co and V) by ab-initio calculations

    NASA Astrophysics Data System (ADS)

    Yahi, Hakima; Meddour, Athmane

    2016-03-01

    The structural, electronic and ferromagnetic properties of Cd1-xTMxS (TM=Co and V) compounds at x=0.25, 0.50 and 0.75 in zinc blende (B3) phase, have been investigated using all-electron full-potential linear muffin tin orbital (FP-LMTO) calculations within the frame work of the density functional theory and the generalized gradient approximation. The electronic properties exhibit half-metallic behavior at x=0.25, 0.50, and 0.75 for Cd1-xVxS and x=0.25 and 0.50 for Cd1-xCoxS, while Cd1-xCoxS with x=0.75 is nearly half-metallic. The calculated magnetic moment per substituted transition metal (TM) atom for half-metallic compounds is found to be 3 μB, whereas that of a nearly half-metallic compound is 2.29 μB. The analysis of band structure and density of states shows that the TM-3d states play a key role in generating spin-polarization and magnetic moment in these compounds. Furthermore, we establish that the p-d hybridization reduces the local magnetic moment of Co and enhances that of V from their free space charge value of 3 μB and creates small local magnetic moments on nonmagnetic Cd and S sites. The exchange constant N0α and N0β have been calculated to validate the effects resulting from exchange splitting process.

  14. Fermi arc electronic structure and Chern numbers in the type-II Weyl semimetal candidate Mo x W 1 - x Te 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Belopolski, Ilya; Xu, Su-Yang; Ishida, Yukiaki

    2016-08-15

    It has recently been proposed that electronic band structures in crystals can give rise to a previously overlooked type of Weyl fermion, which violates Lorentz invariance and, consequently, is forbidden in particle physics. It was further predicted that Mo x W 1 - x Te 2 may realize such a type-II Weyl fermion. Here, we first show theoretically that it is crucial to access the band structure above the Fermi level ε F to show a Weyl semimetal in Mo x W 1 - x Te 2 . Then, we study Mo x W 1 - x Te 2 bymore » pump-probe ARPES and we directly access the band structure > 0.2 eV above ε F in experiment. By comparing our results with ab initio calculations, we conclude that we directly observe the surface state containing the topological Fermi arc. We propose that a future study of Mo x W 1 - x Te 2 by pump-probe ARPES may directly pinpoint the Fermi arc. Our work sets the stage for the experimental discovery of the first type-II Weyl semimetal in Mo x W 1 - x Te 2 .« less

  15. Generation of lower and upper bands of electrostatic electron cyclotron harmonic waves in the Van Allen radiation belts

    DOE PAGES

    Zhou, Qinghua; Xiao, Fuliang; Yang, Chang; ...

    2017-05-22

    Electrostatic electron cyclotron harmonic (ECH) waves generated by the electron loss cone distribution can produce efficient scattering loss of plasma sheet electrons, which has a significant effect on the dynamics in the outer magnetosphere. Here we report two ECH emission events around the same location L≈ 5.7–5.8, MLT ≈ 12 from Van Allen Probes on 11 February (event A) and 9 January 2014 (event B), respectively. The spectrum of ECH waves was centered at the lower half of the harmonic bands during event A, but the upper half during event B. The observed electron phase space density in both eventsmore » is fitted by the subtracted bi-Maxwellian distribution, and the fitting functions are used to evaluate the local growth rates of ECH waves based on a linear theory for homogeneous plasmas. ECH waves are excited by the loss cone instability of 50 eV–1 keV electrons in the lower half of harmonic bands in the low-density plasmasphere in event A, and 1–10 keV electrons in the upper half of harmonic bands in a relatively high-density region in event B. Here, the current results successfully explain observations and provide a first direct evidence on how ECH waves are generated in the lower and upper half of harmonic frequency bands.« less

  16. Generation of lower and upper bands of electrostatic electron cyclotron harmonic waves in the Van Allen radiation belts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhou, Qinghua; Xiao, Fuliang; Yang, Chang

    Electrostatic electron cyclotron harmonic (ECH) waves generated by the electron loss cone distribution can produce efficient scattering loss of plasma sheet electrons, which has a significant effect on the dynamics in the outer magnetosphere. Here we report two ECH emission events around the same location L≈ 5.7–5.8, MLT ≈ 12 from Van Allen Probes on 11 February (event A) and 9 January 2014 (event B), respectively. The spectrum of ECH waves was centered at the lower half of the harmonic bands during event A, but the upper half during event B. The observed electron phase space density in both eventsmore » is fitted by the subtracted bi-Maxwellian distribution, and the fitting functions are used to evaluate the local growth rates of ECH waves based on a linear theory for homogeneous plasmas. ECH waves are excited by the loss cone instability of 50 eV–1 keV electrons in the lower half of harmonic bands in the low-density plasmasphere in event A, and 1–10 keV electrons in the upper half of harmonic bands in a relatively high-density region in event B. Here, the current results successfully explain observations and provide a first direct evidence on how ECH waves are generated in the lower and upper half of harmonic frequency bands.« less

  17. Stochastic stimulated electronic x-ray Raman spectroscopy

    PubMed Central

    Kimberg, Victor; Rohringer, Nina

    2016-01-01

    Resonant inelastic x-ray scattering (RIXS) is a well-established tool for studying electronic, nuclear, and collective dynamics of excited atoms, molecules, and solids. An extension of this powerful method to a time-resolved probe technique at x-ray free electron lasers (XFELs) to ultimately unravel ultrafast chemical and structural changes on a femtosecond time scale is often challenging, due to the small signal rate in conventional implementations at XFELs that rely on the usage of a monochromator setup to select a small frequency band of the broadband, spectrally incoherent XFEL radiation. Here, we suggest an alternative approach, based on stochastic spectroscopy, which uses the full bandwidth of the incoming XFEL pulses. Our proposed method is relying on stimulated resonant inelastic x-ray scattering, where in addition to a pump pulse that resonantly excites the system a probe pulse on a specific electronic inelastic transition is provided, which serves as a seed in the stimulated scattering process. The limited spectral coherence of the XFEL radiation defines the energy resolution in this process and stimulated RIXS spectra of high resolution can be obtained by covariance analysis of the transmitted spectra. We present a detailed feasibility study and predict signal strengths for realistic XFEL parameters for the CO molecule resonantly pumped at the O1s→π* transition. Our theoretical model describes the evolution of the spectral and temporal characteristics of the transmitted x-ray radiation, by solving the equation of motion for the electronic and vibrational degrees of freedom of the system self consistently with the propagation by Maxwell equations. PMID:26958585

  18. Vibronic bands in the HOMO-LUMO excitation of linear polyyne molecules

    NASA Astrophysics Data System (ADS)

    Wakabayashi, Tomonari; Wada, Yoriko; Iwahara, Naoya; Sato, Tohru

    2013-04-01

    Hydrogen-capped linear carbon chain molecules, namely polyynes H(C≡C)nH (n>=2), give rise to three excited states in the HOMO-LUMO excitation. Electric dipole transition from the ground state is fully allowed to one of the three excited states, while forbidden for the other two low-lying excited states. In addition to the strong absorption bands in the UV for the allowed transition, the molecules exhibit weak absorption and emission bands in the near UV and visible wavelength regions. The weak features are the vibronic bands in the forbidden transition. In this article, symmetry considerations are presented for the optical transitions in the centrosymmetric linear polyyne molecule. The argument includes Herzberg-Teller expansion for the state mixing induced by nuclear displacements along the normal coordinate of the molecule, intensity borrowing from fully allowed transitions, and inducing vibrational modes excited in the vibronic transition. The vibronic coupling considered here includes off-diagonal matrix elements for second derivatives along the normal coordinate. The vibronic selection rule for the forbidden transition is derived and associated with the transition moment with respect to the molecular axis. Experimental approaches are proposed for the assignment of the observed vibronic bands.

  19. Small X-Band Oscillator Antennas

    NASA Technical Reports Server (NTRS)

    Lee, Richard Q.; Miranda, Felix A.; Clark, Eric B.; Wilt, David M.; Mueller, Carl H.; Kory, Carol L.; Lambert, Kevin M.

    2009-01-01

    A small, segmented microstrip patch antenna integrated with an X-band feedback oscillator on a high-permittivity substrate has been built and tested. This oscillator antenna is a prototype for demonstrating the feasibility of such devices as compact, low-power-consumption building blocks of advanced, lightweight, phased antenna arrays that would generate steerable beams for communication and remotesensing applications.

  20. Density Functional Theory Calculation of the Band Alignment of (101̅0) In(x)Ga(1-x)N/Water Interfaces.

    PubMed

    Meng, Andrew C; Cheng, Jun; Sprik, Michiel

    2016-03-03

    Conduction band edge (CBE) and valence band edge (VBE) positions of InxGa1-xN photoelectrodes were computed using density functional theory methods. The band edges of fully solvated GaN and InN model systems were aligned with respect to the standard hydrogen electrode using a molecular dynamics hydrogen electrode scheme applied earlier to TiO2/water interfaces. Similar to the findings for TiO2, we found that the Purdew-Burke-Ernzerhof (PBE) functional gives a VBE potential which is too negative by 1 V. This cathodic bias is largely corrected by application of the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional containing a fraction of Hartree-Fock exchange. The effect of a change of composition was investigated using simplified model systems consisting of vacuum slabs covered on both sides by one monolayer of H2O. The CBE was found to vary linearly with In content. The VBE, in comparison, is much less sensitive to composition. The data show that the band edges straddle the hydrogen and oxygen evolution potentials for In fractions less than 47%. The band gap was found to exceed 2 eV for an In fraction less than 54%.

  1. First-principles study of electronic properties of FeSe{sub 1-x}S{sub x} alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kumar, Sandeep, E-mail: sandeep@phy.iitb.ac.in; Singh, Prabhakar P.

    2016-05-06

    We have studied the electronic and superconducting properties of FeSe{sub 1-x}S{sub x} (x = 0.0, 0.04) alloys by first-principles calculations using the Korringa-Kohn-Rostoker Atomic Sphere Approximation within the coherent potential approximation (KKR-ASA-CPA). The electronic structure calculations show the ground states of S-doped FeSe to be nonmagnetic. We present the results of our unpolarized calculations for these alloys in terms of density of states (DOS), band structures, Fermi surfaces and the superconducting transition temperature of FeSe and FeSe{sub 0.96}S{sub 0.04} alloys. We find that the substitution of S at Se site into FeSe exhibit the subtle changes in the electronic structuremore » with respect to the parent FeSe. We have also estimated bare Sommerfeld constant (γ{sub b}), electron-phonon coupling constant (λ) and the superconducting transition temperature (T{sub c}) for these alloys, which were found to be in good agreement with experiments.« less

  2. Nonlinear X-Ray and Auger Spectroscopy at X-Ray Free-Electron Laser Sources

    NASA Astrophysics Data System (ADS)

    Rohringer, Nina

    2015-05-01

    X-ray free-electron lasers (XFELs) open the pathway to transfer non-linear spectroscopic techniques to the x-ray domain. A promising all x-ray pump probe technique is based on coherent stimulated electronic x-ray Raman scattering, which was recently demonstrated in atomic neon. By tuning the XFEL pulse to core-excited resonances, a few seed photons in the spectral tail of the XFEL pulse drive an avalanche of resonant inelastic x-ray scattering events, resulting in exponential amplification of the scattering signal by of 6-7 orders of magnitude. Analysis of the line profile of the emitted radiation permits to demonstrate the cross over from amplified spontaneous emission to coherent stimulated resonance scattering. In combination with statistical covariance mapping, a high-resolution spectrum of the resonant inelastic scattering process can be obtained, opening the path to coherent stimulated x-ray Raman spectroscopy. An extension of these ideas to molecules and a realistic feasibility study of stimulated electronic x-ray Raman scattering in CO will be presented. Challenges to realizing stimulated electronic x-ray Raman scattering at present-day XFEL sources will be discussed, corroborated by results of a recent experiment at the LCLS XFEL. Due to the small gain cross section in molecular targets, other nonlinear spectroscopic techniques such as nonlinear Auger spectroscopy could become a powerful alternative. Theory predictions of a novel pump probe technique based on resonant nonlinear Auger spectroscopic will be discussed and the method will be compared to stimulated x-ray Raman spectroscopy.

  3. Investigation of an X-band gigawatt long pulse multi-beam relativistic klystron amplifier

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Zhenbang; Huang, Hua; Lei, Lurong

    2015-09-15

    To achieve a gigawatt-level long pulse radiation power in X-band, a multi-beam relativistic klystron amplifier is proposed and studied experimentally. By introducing 18 electron drift tubes and extended interaction cavities, the power capacity of the device is increased. A radiation power of 1.23 GW with efficiency of 41% and amplifier gain of 46 dB is obtained in the particle-in-cell simulation. Under conditions of a 10 Hz repeat frequency and an input RF power of 30 kW, a radiation power of 0.9 GW, frequency of 9.405 GHz, pulse duration of 105 ns, and efficiency of 30% is generated in the experiment, and the amplifier gain is aboutmore » 45 dB. Both the simulation and the experiment prove that the multi-beam relativistic klystron amplifier can generate a long pulse GW-level radiation power in X-band.« less

  4. Observation of an electron band above the Fermi level in FeTe₀.₅₅Se₀.₄₅ from in-situ surface doping

    DOE PAGES

    Zhang, P.; Richard, P.; Xu, N.; ...

    2014-10-27

    We used in-situ potassium (K) evaporation to dope the surface of the iron-based superconductor FeTe₀.₅₅Se₀.₄₅. The systematic study of the bands near the Fermi level confirms that electrons are doped into the system, allowing us to tune the Fermi level of this material and to access otherwise unoccupied electronic states. In particular, we observe an electron band located above the Fermi level before doping that shares similarities with a small three-dimensional pocket observed in the cousin, heavily-electron-doped KFe₂₋ xSe₂ compound.

  5. Using parallel banded linear system solvers in generalized eigenvalue problems

    NASA Technical Reports Server (NTRS)

    Zhang, Hong; Moss, William F.

    1993-01-01

    Subspace iteration is a reliable and cost effective method for solving positive definite banded symmetric generalized eigenproblems, especially in the case of large scale problems. This paper discusses an algorithm that makes use of two parallel banded solvers in subspace iteration. A shift is introduced to decompose the banded linear systems into relatively independent subsystems and to accelerate the iterations. With this shift, an eigenproblem is mapped efficiently into the memories of a multiprocessor and a high speed-up is obtained for parallel implementations. An optimal shift is a shift that balances total computation and communication costs. Under certain conditions, we show how to estimate an optimal shift analytically using the decay rate for the inverse of a banded matrix, and how to improve this estimate. Computational results on iPSC/2 and iPSC/860 multiprocessors are presented.

  6. Electronic and magnetic properties of Zn1-xFexSe alloys

    NASA Astrophysics Data System (ADS)

    Khatta, Swati; Tripathi, S. K.; Prakash, Satya

    2017-12-01

    The spin polarized density functional theory along with self consistent plane wave pseudopotential method is used to investigate electronic and magnetic properties of ternary Zn1-xFexSe alloys with x = 0.125, 0.25, 0.5 and 0.75. The exchange-correlation potential treated within generalized gradient approximation is used. The calculated spin-polarized band structures, partial and total density of states reveal that Zn0.875Fe0.125Se and Zn0.75Fe0.25Se exhibit half metallic ferromagnetic characteristics and Zn0.50Fe0.50Se is nearly half metallic in nature. The half metallic band gaps for x = 0.125 and 0.25 are 0.69 and 0.39 eV respectively, while the corresponding band gaps are 0.86 and 0.81 eV. The p-d hybridization reduces the magnetic moment of Fe atoms from its free space charge value of 4 μB and induces the small magnetic moments on Zn and Se sites. The results are compared with available experimental data.

  7. Valence band offsets of Sc x Ga1-x N/AlN and Sc x Ga1-x N/GaN heterojunctions

    NASA Astrophysics Data System (ADS)

    Tsui, H. C. L.; Goff, L. E.; Palgrave, R. G.; Beere, H. E.; Farrer, I.; Ritchie, D. A.; Moram, M. A.

    2016-07-01

    The valence band offsets of Sc x Ga1-x N/AlN heterojunctions were measured by x-ray photoelectron spectroscopy (XPS) and were found to increase from 0.42 eV to 0.95 eV as the Sc content x increased from 0 to 0.15. The increase in valence band offset with increasing x is attributed to the corresponding increase in spontaneous polarization of the wurtzite structure. The Sc x Ga1-x N/AlN heterojunction is type I, similar to other III-nitride-based heterojunctions. The data also indicate that a type II staggered heterojunction, which can enhance spatial charge separation, could be formed if Sc x Ga1-x N is grown on GaN.

  8. Electronic structures of GaAs/AlxGa1-xAs quantum double rings

    PubMed Central

    Xia, Jian-Bai

    2006-01-01

    In the framework of effective mass envelope function theory, the electronic structures of GaAs/AlxGa1-xAs quantum double rings (QDRs) are studied. Our model can be used to calculate the electronic structures of quantum wells, wires, dots, and the single ring. In calculations, the effects due to the different effective masses of electrons and holes in GaAs and AlxGa1-xAs and the valence band mixing are considered. The energy levels of electrons and holes are calculated for different shapes of QDRs. The calculated results are useful in designing and fabricating the interrelated photoelectric devices. The single electron states presented here are useful for the study of the electron correlations and the effects of magnetic fields in QDRs.

  9. W-Band Transmission MeasurementS and X-Band Dielectric Properties Measurements for a Radome Material Sample

    NASA Technical Reports Server (NTRS)

    Cravey, Robin L.; Tiemsin, Pacita I.

    1997-01-01

    This paper describes measurements which were performed on a sample of radome material in the Electromagnetic Properties Measurements Laboratory (EPML). The purpose of the measurements described in this paper was to determine the one-way transmission loss through the flat panel of radome material for a frequency range of 84 to 94 GHz, for varying incidence angles. The panel, which was manufactured by Norton Performance Plastics Corporation, was provided to the EPML by TRW. The size of the panel is 40 in x 36 in x 0.422 in and consists of a foam material with one side coated with a smooth white coating (this side will be referred to as the front side). The dielectric properties of the foam material from the inside of the panel were also determined at X-band (8.2-12.4 GHz). The W-band free space measurements are presented first, followed by the X-band dielectric properties measurements.

  10. Electronic and optical properties of the LiCdX (X = N, P, As and Sb) filled-tetrahedral compounds with the Tran–Blaha modified Becke–Johnson density functional

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr; Bin-Omran, S.; Department of Physics, Faculty of Science & Humanitarian Studies, Salman Bin Abdalaziz University, Alkharj 11942

    Highlights: • Electronic and optical properties of the LiCdX compounds have been predicted. • Tran–Blaha-modified Becke–Johnson functional significantly improves the band gap. • We predict a direct band gap in all of the considered LiCdX compounds. • Origin of the peaks in the optical spectra is determined. - Abstract: The structural, electronic and optical properties of the LiCdN, LiCdP, LiCdAs and LiCdSb filled-tetrahedral compounds have been explored from first-principles. The calculated structural parameters are consistent with the available experimental results. Since DFT with the common LDA and GGA underestimates the band gap, we use a new developed functional able tomore » accurately describe the electronic structure of semiconductors, namely the Tran–Blaha-modified Becke–Johnson potential. The four investigated compounds demonstrate semiconducting behavior with direct band gap ranging from about 0.32 to 1.65 eV. The charge-carrier effective masses are evaluated at the topmost valence band and at the bottommost conduction band. The evolution of the value and nature of the energy band gap under pressure effect is also investigated. The frequency-dependent complex dielectric function and some macroscopic optical constants are estimated. The microscopic origins of the structures in the optical spectra are determined in terms of the calculated energy band structures.« less

  11. Multicolor emission from intermediate band semiconductor ZnO 1-xSe x

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Welna, M.; Baranowski, M.; Linhart, W. M.

    Photoluminescence and photomodulated reflectivity measurements of ZnOSe alloys are used to demonstrate a splitting of the valence band due to the band anticrossing interaction between localized Se states and the extended valence band states of the host ZnO matrix. A strong multiband emission associated with optical transitions from the conduction band to lower E - and upper E + valence subbands has been observed at room temperature. The composition dependence of the optical transition energies is well explained by the electronic band structure calculated using the kp method combined with the band anticrossing model. The observation of the multiband emissionmore » is possible because of relatively long recombination lifetimes. Longer than 1 ns lifetimes for holes photoexcited to the lower valence subband offer a potential of using the alloy as an intermediate band semiconductor for solar power conversion applications.« less

  12. Multicolor emission from intermediate band semiconductor ZnO 1-xSe x

    DOE PAGES

    Welna, M.; Baranowski, M.; Linhart, W. M.; ...

    2017-03-13

    Photoluminescence and photomodulated reflectivity measurements of ZnOSe alloys are used to demonstrate a splitting of the valence band due to the band anticrossing interaction between localized Se states and the extended valence band states of the host ZnO matrix. A strong multiband emission associated with optical transitions from the conduction band to lower E - and upper E + valence subbands has been observed at room temperature. The composition dependence of the optical transition energies is well explained by the electronic band structure calculated using the kp method combined with the band anticrossing model. The observation of the multiband emissionmore » is possible because of relatively long recombination lifetimes. Longer than 1 ns lifetimes for holes photoexcited to the lower valence subband offer a potential of using the alloy as an intermediate band semiconductor for solar power conversion applications.« less

  13. Electronic structures of anatase (TiO2)1-x(TaON)x solid solutions: a first-principles study.

    PubMed

    Dang, Wenqiang; Chen, Hungru; Umezawa, Naoto; Zhang, Junying

    2015-07-21

    Sensitizing wide band gap photo-functional materials under visible-light irradiation is an important task for efficient solar energy conversion. Although nitrogen doping into anatase TiO2 has been extensively studied for this purpose, it is hard to increase the nitrogen content in anatase TiO2 because of the aliovalent nitrogen substituted for oxygen, leading to the formation of secondary phases or defects that hamper the migration of photoexcited charge carriers. In this paper, electronic structures of (TiO2)1-x(TaON)x (0 ≤ x ≤ 1) solid solutions, in which the stoichiometry is satisfied with the co-substitution of Ti for Ta along with O for N, are investigated within the anatase crystal structure using first-principles calculations. Our computational results show that the solid solutions have substantially narrower band gaps than TiO2, without introducing any localized energy states in the forbidden gap. In addition, in comparison with the pristine TiO2, the solid solution has a direct band gap when the content of TaON exceeds 0.25, which is advantageous to light absorption. The valence band maximum (VBM) of the solid solutions, which is mainly composed of N 2p states hybridized with O 2p, Ti 3d or Ta 5d orbitals, is higher in energy than that of pristine anatase TiO2 consisting of non-bonding O 2p states. On the other hand, incorporating TaON into TiO2 causes the formation of d-d bonding states through π interactions and substantially lowers the conduction band minimum (CBM) because of the shortened distance between some metal atoms. As a result, the anatase (TiO2)1-x(TaON)x is expected to become a promising visible-light absorber. In addition, some atomic configurations are found to possess exceptionally narrow band gaps.

  14. Probability of Two-Step Photoexcitation of Electron from Valence Band to Conduction Band through Doping Level in TiO2.

    PubMed

    Nishikawa, Masami; Shiroishi, Wataru; Honghao, Hou; Suizu, Hiroshi; Nagai, Hideyuki; Saito, Nobuo

    2017-08-17

    For an Ir-doped TiO 2 (Ir:TiO 2 ) photocatalyst, we examined the most dominant electron-transfer path for the visible-light-driven photocatalytic performance. The Ir:TiO 2 photocatalyst showed a much higher photocatalytic activity under visible-light irradiation than nondoped TiO 2 after grafting with the cocatalyst of Fe 3+ . For the Ir:TiO 2 photocatalyst, the two-step photoexcitation of an electron from the valence band to the conduction band through the Ir doping level occurred upon visible-light irradiation, as observed by electron spin resonance spectroscopy. The two-step photoexcitation through the doping level was found to be a more stable process with a lower recombination rate of hole-electron pairs than the two-step photoexcitation process through an oxygen vacancy. Once electrons are photoexcited to the conduction band by the two-step excitation, the electrons can easily transfer to the surface because the conduction band is a continuous electron path, whereas the electrons photoexcited at only the doping level could not easily transfer to the surface because of the discontinuity of this path. The observed two-step photoexcitation from the valence band to the conduction band through the doping level significantly contributes to the enhancement of the photocatalytic performance.

  15. A soft X-ray spectroscopic perspective of electron localization and transport in tungsten doped bismuth vanadate single crystals.

    PubMed

    Jovic, Vedran; Rettie, Alexander J E; Singh, Vijay R; Zhou, Jianshi; Lamoureux, Bethany; Buddie Mullins, C; Bluhm, Hendrik; Laverock, Jude; Smith, Kevin E

    2016-11-23

    Doped BiVO 4 is a promising photoelectrochemical water splitting anode, whose activity is hampered by poor charge transport. Here we use a set of X-ray spectroscopic methods to probe the origin and nature of localized electron states in W:BiVO 4 . Furthermore, using the polarized nature of the X-rays, we probe variations in the electronic structure along the crystal axes. In this manner, we reveal aspects of the electronic structure related to electron localization and observations consistent with conductivity anisotropy between the ab-plane and c-axis. We verify that tungsten substitutes as W 6+ for V 5+ in BiVO 4 . This is shown to result in the presence of inter-band gap states related to electrons at V 4+ sites of e symmetry. The energetic position of the states in the band gap suggest that they are highly localized and may act as recombination centres. Polarization dependent X-ray absorption spectra reveal anisotropy in the electronic structure between the ab-plane and c-axis. Results show the superior hybridization between V 3d and O 2p states, higher V wavefunction overlap and broader conduction bands in the ab-plane than in the c-axis. These insights into the electronic structure are discussed in the context of existing experimental and theoretical reports regarding charge transport in BiVO 4 .

  16. Fluorinated graphene oxide for enhanced S and X-band microwave absorption

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sudeep, P. M.; TIFR-Centre for Interdisciplinary Sciences, Tata Institute of Fundamental Research, Hyderabad 500075; Vinayasree, S.

    2015-06-01

    Here we report the microwave absorbing properties of three graphene derivatives, namely, graphene oxide (GO), fluorinated GO (FGO, containing 5.6 at. % Fluorine (F)), and highly FGO (HFGO, containing 23 at. % F). FGO is known to be exhibiting improved electrochemical and electronic properties when compared to GO. Fluorination modifies the dielectric properties of GO and hence thought of as a good microwave absorber. The dielectric permittivities of GO, FGO, and HFGO were estimated in the S (2 GHz to 4 GHz) and X (8 GHz to 12 GHz) bands by employing cavity perturbation technique. For this, suspensions containing GO/FGO/HFGO were made in N-Methylmore » Pyrrolidone (NMP) and were subjected to cavity perturbation. The reflection loss was then estimated and it was found that −37 dB (at 3.2 GHz with 6.5 mm thickness) and −31 dB (at 2.8 GHz with 6 mm thickness) in the S band and a reflection loss of −18 dB (at 8.4 GHz with 2.5 mm thickness) and −10 dB (at 11 GHz with 2 mm thickness) in the X band were achieved for 0.01 wt. % of FGO and HFGO in NMP, respectively, suggesting that these materials can serve as efficient microwave absorbers even at low concentrations.« less

  17. Effect of p–d hybridization, structural distortion and cation electronegativity on electronic properties of ZnSnX{sub 2} (X=P, As, Sb) chalcopyrite semiconductors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mishra, S.; Ganguli, B., E-mail: biplabg@nitrkl.ac.in

    2013-04-15

    Significant effects of p–d hybridization, structural distortion and cation-electro-negativity are found on band gap in ZnSnX{sub 2} (X=P, As, Sb). Our study suggests these compounds to be direct band gap semiconductors with band gaps of 1.23, 0.68 and 0.19 eV respectively. Lattice constants, tetragonal distortion (η), anion displacement, bond lengths and bulk moduli are calculated by Density Functional Theory based on Tight binding Linear Muffin-Tin orbital method. Our result of structural properties is in good agreement with the available experimental and other theoretical results. Calculated band gaps also agree well with the experimental works within LDA limitation. Unlike other semiconductorsmore » in the group II–IV–V{sub 2}, there is a reduction in the band gap of 0.22, 0.20 and 0.24 eV respectively in ZnSnX{sub 2} (X=P, As, Sb) due to p–d hybridization. Structural distortion decreases band gap by 0.20, 0.12 and 0.10 eV respectively. We find that cation electronegativity effect is responsible for increasing the band gap relative to their binary analogs GaInP{sub 2}, InGaAs{sub 2} and GaInSb{sub 2} respectively and increment are 0.13, 0.04 and 0.13 eV respectively. - Graphical abstract: One unit cell of ZnSnX{sub 2} (X=P, As, Sb) chalcopyrite semiconductor. Semiconductors ZnSnX{sub 2} (X=P, As, Sb) are found to be direct band gap semiconductors with band gaps 1.23, 0.68 and 0.19 eV respectively. The quantitative estimate of effects of p–d hybridization, structural distortion and cation electronegativity shows band gaps change significantly due to these effects. Highlights: ► ZnSnX{sub 2} (X=P, As, Sb) are direct band gap semiconductors. ► These have band gaps of 1.23 eV, 0.68 eV and 0.19 eV respectively. ► The band gap reduction due to p–d hybridization is 13.41%, 18.51% and 40% respectively. ► Band gap reduction due to structural distortion is 12.12%, 11.11% and 16.66% respectively. ► Band gap increases 8.38%, 3.70% and 21

  18. Soft X-ray photoemission study of Co2(Cr1-xFex)Ga Heusler compounds

    NASA Astrophysics Data System (ADS)

    Tsunekawa, Masanori; Hattori, Yoshiro; Sekiyama, Akira; Fujiwara, Hidenori; Suga, Shigemasa; Muro, Takayuki; Kanomata, Takeshi; Imada, Shin

    2015-08-01

    We have performed soft X-ray photoemission spectroscopy (SXPES) and X-ray absorption spectroscopy (XAS) of the Co-based Heusler compounds Co2(Cr1-xFex)Ga (x = 0.0, 0.4, and 1.0) in order to study their electronic structures. Band-structure calculation was carried out and compared with the experimental results. SXPES spectra show hν-dependence, revealing the contributions of the Co, Cr, and Fe 3d electronic states in the valence band. The band width observed by the SXPES seems to be narrower than that predicted by the band-structure calculation. XAS spectra depend strongly on the the value of x in Co2(Cr1-xFex)Ga. The electron correlation effects are found to be stronger as x changes from 0.0 to 1.0.

  19. All-electron GW quasiparticle band structures of group 14 nitride compounds

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chu, Iek-Heng; Cheng, Hai-Ping, E-mail: cheng@qtp.ufl.edu; Kozhevnikov, Anton

    We have investigated the group 14 nitrides (M{sub 3}N{sub 4}) in the spinel phase (γ-M{sub 3}N{sub 4} with M = C, Si, Ge, and Sn) and β phase (β-M{sub 3}N{sub 4} with M = Si, Ge, and Sn) using density functional theory with the local density approximation and the GW approximation. The Kohn-Sham energies of these systems have been first calculated within the framework of full-potential linearized augmented plane waves (LAPW) and then corrected using single-shot G{sub 0}W{sub 0} calculations, which we have implemented in the modified version of the Elk full-potential LAPW code. Direct band gaps at the Γmore » point have been found for spinel-type nitrides γ-M{sub 3}N{sub 4} with M = Si, Ge, and Sn. The corresponding GW-corrected band gaps agree with experiment. We have also found that the GW calculations with and without the plasmon-pole approximation give very similar results, even when the system contains semi-core d electrons. These spinel-type nitrides are novel materials for potential optoelectronic applications because of their direct and tunable band gaps.« less

  20. Mechanical, Anisotropic, and Electronic Properties of XN (X = C, Si, Ge): Theoretical Investigations.

    PubMed

    Ma, Zhenyang; Liu, Xuhong; Yu, Xinhai; Shi, Chunlei; Wang, Dayun

    2017-08-08

    The structural, mechanical, elastic anisotropic, and electronic properties of Pbca -XN (X = C, Si, Ge) are investigated in this work using the Perdew-Burke-Ernzerhof (PBE) functional, Perdew-Burke-Ernzerhof for solids (PBEsol) functional, and Ceperly and Alder, parameterized by Perdew and Zunger (CA-PZ) functional in the framework of density functional theory. The achieved results for the lattice parameters and band gap of Pbca -CN with the PBE functional in this research are in good accordance with other theoretical results. The band structures of Pbca -XN (X = C, Si, Ge) show that Pbca -SiN and Pbca -GeN are both direct band gap semiconductor materials with a band gap of 3.39 eV and 2.22 eV, respectively. Pbca -XN (X = C, Si, Ge) exhibits varying degrees of mechanical anisotropic properties with respect to the Poisson's ratio, bulk modulus, shear modulus, Young's modulus, and universal anisotropic index. The (001) plane and (010) plane of Pbca -CN/SiN/GeN both exhibit greater elastic anisotropy in the bulk modulus and Young's modulus than the (100) plane.

  1. Band alignment of SiO2/(AlxGa1-x)2O3 (0 ≤ x ≤ 0.49) determined by X-ray photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Feng, Zhaoqing; Feng, Qian; Zhang, Jincheng; Li, Xiang; Li, Fuguo; Huang, Lu; Chen, Hong-Yan; Lu, Hong-Liang; Hao, Yue

    2018-03-01

    In this work, we report the investigation of the band alignment of SiO2/(AlxGa1-x)2O3 (0 ≤ x ≤ 0.49) utilizing the high resolution X-ray photoelectron spectroscopy (XPS) measurements. The single crystallinity and orientation of β-(AlxGa1-x)2O3 films grown on sapphire by pulsed laser deposition were studied with the high resolution X-ray diffraction. The Ga 2p3/2 and Si 2p core-level spectra as well as valence band spectra were used in the analysis of band alignment. As the mole fraction x of Al increases from 0 to 0.49, the bandgap and conduction band offset values of SiO2/(AlxGa1-x)2O3 increases from 4.9 to 5.6 eV and from 1.5 to 2.1 eV, respectively, while that of valence band offset decreases from 2.2 to 0.9 eV. From the results obtained, the energy band diagram of the studied SiO2/(AlxGa1-x)2O3 (0 ≤ x ≤ 0.49) interfaces is found to be of type I. Energy band lineups of SiO2/(AlxGa1-x)2O3 were thus determined which can be used as for Ga2O3 based power device technology.

  2. Wave-function-based approach to quasiparticle bands: Insight into the electronic structure of c-ZnS

    NASA Astrophysics Data System (ADS)

    Stoyanova, A.; Hozoi, L.; Fulde, P.; Stoll, H.

    2011-05-01

    Ab initio wave-function-based methods are employed for the study of quasiparticle energy bands of zinc-blende ZnS, with focus on the Zn 3d “semicore” states. The relative energies of these states with respect to the top of the S 3p valence bands appear to be poorly described as compared to experimental values not only within the local density approximation (LDA), but also when many-body corrections within the GW approximation are applied to the LDA or LDA + U mean-field solutions [T. Miyake, P. Zhang, M. L. Cohen, and S. G. Louie, Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.74.245213 74, 245213 (2006)]. In the present study, we show that for the accurate description of the Zn 3d states a correlation treatment based on wave-function methods is needed. Our study rests on a local Hamiltonian approach which rigorously describes the short-range polarization and charge redistribution effects around an extra hole or electron placed into the valence respective conduction bands of semiconductors and insulators. The method also facilitates the computation of electron correlation effects beyond relaxation and polarization. The electron correlation treatment is performed on finite clusters cut off the infinite system. The formalism makes use of localized Wannier functions and embedding potentials derived explicitly from prior periodic Hartree-Fock calculations. The on-site and nearest-neighbor charge relaxation lead to corrections of several eV to the Hartree-Fock band energies and gap. Corrections due to long-range polarization are of the order of 1.0 eV. The dispersion of the Hartree-Fock bands is only slightly affected by electron correlations. We find the Zn 3d “semicore” states to lie ~9.0 eV below the top of the S 3p valence bands, in very good agreement with values from valence-band x-ray photoemission.

  3. Design of a 100 MW X-band klystron

    NASA Astrophysics Data System (ADS)

    Eppley, Kenneth

    1989-02-01

    Future linear colliders will require klystrons with higher peak power at higher frequency than are currently in use. SLAC is currently designing a 100 MW klystron at 11.4 GHz as a prototype for such a tube. The gun has been designed for 440 kV and 510 amps. Transporting this beam through a 5 mm radius X-band drift tube presents the major design problem. The area convergence ratio of 190 to one is over ten times higher than is found in conventional klystrons. Even with high magnetic fields of 6 to 7 kilogauss careful matching is required to prevent excessive scalloping. Extensive EGUN and CONDOR simulations have been made to optimize the transmission and RF efficiency. The EGUN simulations indicate that better matching is possible by using resonant magnetic focusing. CONDOR calculations indicate efficiencies of 45 percent are possible with a double output cavity. We will discuss the results of the simulations and the status of the experimental program.

  4. Linear and non-linear interdependence of EEG and HRV frequency bands in human sleep.

    PubMed

    Chaparro-Vargas, Ramiro; Dissanayaka, P Chamila; Patti, Chanakya Reddy; Schilling, Claudia; Schredl, Michael; Cvetkovic, Dean

    2014-01-01

    The characterisation of functional interdependencies of the autonomic nervous system (ANS) stands an evergrowing interest to unveil electroencephalographic (EEG) and Heart Rate Variability (HRV) interactions. This paper presents a biosignal processing approach as a supportive computational resource in the estimation of sleep dynamics. The application of linear, non-linear methods and statistical tests upon 10 overnight polysomnographic (PSG) recordings, allowed the computation of wavelet coherence and phase locking values, in order to identify discerning features amongst the clinical healthy subjects. Our findings showed that neuronal oscillations θ, α and σ interact with cardiac power bands at mid-to-high rank of coherence and phase locking, particularly during NREM sleep stages.

  5. Development for a supercompact X -band pulse compression system and its application at SLAC

    DOE PAGES

    Wang, Juwen W.; Tantawi, Sami G.; Xu, Chen; ...

    2017-11-09

    Here, we have successfully designed, fabricated, installed, and tested a super compact X -band SLAC Energy Doubler system at SLAC. It is composed of an elegant 3 dB coupler–mode converter–polarizer coupled to a single spherical energy storage cavity with high Q 0 of 94000 and a diameter less than 12 cm. The available rf peak power of 50 MW can be compressed to a peak average power of more than 200 MW in order to double the kick for the electron bunches in a rf transverse deflector system and greatly improve the measurement resolution of both the electron bunches andmore » the x-ray free-electron laser pulses. The design physics and fabrication as well as the measurement results will be presented in detail. High-power operation has demonstrated the excellent performance of this rf compression system without rf breakdown, sign of pulse heating, and rf radiation.« less

  6. Development for a supercompact X -band pulse compression system and its application at SLAC

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Juwen W.; Tantawi, Sami G.; Xu, Chen

    Here, we have successfully designed, fabricated, installed, and tested a super compact X -band SLAC Energy Doubler system at SLAC. It is composed of an elegant 3 dB coupler–mode converter–polarizer coupled to a single spherical energy storage cavity with high Q 0 of 94000 and a diameter less than 12 cm. The available rf peak power of 50 MW can be compressed to a peak average power of more than 200 MW in order to double the kick for the electron bunches in a rf transverse deflector system and greatly improve the measurement resolution of both the electron bunches andmore » the x-ray free-electron laser pulses. The design physics and fabrication as well as the measurement results will be presented in detail. High-power operation has demonstrated the excellent performance of this rf compression system without rf breakdown, sign of pulse heating, and rf radiation.« less

  7. Colloidal nanocrystals as LEGO® bricks for building electronic band structure models.

    PubMed

    Tadjine, Athmane; Delerue, Christophe

    2018-03-28

    The synthesis of self-assembled semiconductor nanocrystal (NC) superlattices using oriented attachment recently became a flourishing research topic. This technique already produced remarkable forms of NC superlattices, such as linear chains, mono and multilayer square lattices, and silicene-like honeycomb lattices. In the case of lead chalcogenide semiconductors where NCs are in the form of truncated nanocubes, the attachment mostly occurs via (100) facets. In this work, we show that all these structures can be seen as sub-structures of a simple cubic lattice. From this, we investigate a rich variety of one-dimensional or two-dimensional superlattices that could be built as few lines or few layers taken from the same cubic system following different crystallographic orientations. Each NC can be therefore considered as a LEGO® brick, and any superlattice can be obtained from another one by rearranging the bricks. Moreover, we show that this concept of LEGO® bricks can be extended to the calculation of the electronic band structure of the superlattices. This leads to a simple yet powerful way to build analytical Hamiltonians that present band structures in excellent agreement with more elaborate atomistic tight-binding calculations. This LEGO® concept could guide the synthesis of superlattices and LEGO® Hamiltonians should greatly simplify further studies on the (opto-)electronic properties of such structures.

  8. Multiple-Band Linear-Polarization Conversion and Circular Polarization in Reflection Mode Using a Symmetric Anisotropic Metasurface

    NASA Astrophysics Data System (ADS)

    Lin, Bao-Qin; Guo, Jian-Xin; Chu, Peng; Huo, Wen-Jun; Xing, Zhuo; Huang, Bai-Gang; Wu, Lan

    2018-02-01

    In this work, we propose a multiband linear-polarization (LP) conversion and circular polarization (CP) maintaining reflector using a symmetric anisotropic metasurface. The anisotropic metasurface is composed of a square array of a two-corner-cut square multiring disk printed on a grounded dielectric substrate, which is a symmetric structure with a pair of mutually perpendicular symmetric axes u and v along the ±45 ° directions with respect to the y -axis direction. The simulated results show that the reflector can realize LP conversion in five frequency bands at both x - and y -polarized incidence, the first four bands all have a certain bandwidth, and the fourth one, especially, is an ultrawideband. In addition, because of the symmetry of the reflector structure, the polarization state of a CP wave can be maintained after reflection, and the magnitude of the copolarized reflection coefficient at the CP incidence is just equal to that of the cross-polarized reflection coefficient at the x - and y -polarized incidence. We analyze the root cause of the multiband LP conversion and CP maintaining reflection, and carry out one experiment to verify the proposed reflector.

  9. X-ray photoelectron spectrum and electronic properties of a noncentrosymmetric chalcopyrite compound HgGa(2)S(4): LDA, GGA, and EV-GGA.

    PubMed

    Reshak, Ali Hussain; Khenata, R; Kityk, I V; Plucinski, K J; Auluck, S

    2009-04-30

    An all electron full potential linearized augmented plane wave method has been applied for a theoretical study of the band structure, density of states, and electron charge density of a noncentrosymmetric chalcopyrite compound HgGa(2)S(4) using three different approximations for the exchange correlation potential. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma resulting in a direct energy gap of about 2.0, 2.2, and 2.8 eV for local density approximation (LDA), generalized gradient approximation (GGA), and Engel-Vosko (EVGGA) compared to the experimental value of 2.84 eV. We notice that EVGGA shows excellent agreement with the experimental data. This agreement is attributed to the fact that the Engel-Vosko GGA formalism optimizes the corresponding potential for band structure calculations. We make a detailed comparison of the density of states deduced from the X-ray photoelectron spectra with our calculations. We find that there is a strong covalent bond between the Hg and S atoms and Ga and S atoms. The Hg-Hg, Ga-Ga, and S-S bonds are found to be weaker than the Hg-S and Ga-S bonds showing that a covalent bond exists between Hg and S atoms and Ga and S atoms.

  10. Evaluation of band alignment of α-Ga2O3/α-(Al x Ga1‑ x )2O3 heterostructures by X-ray photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Uchida, Takayuki; Jinno, Riena; Takemoto, Shu; Kaneko, Kentaro; Fujita, Shizuo

    2018-04-01

    The band alignment at an α-Ga2O3/α-(Al x Ga1‑ x )2O3 heterointerface, with different Al compositions (x), grown on a c-plane sapphire substrate was evaluated by X-ray photoelectron spectroscopy. The experimental results show that the heterointerface has the type-I band discontinuity with the valence band offsets of 0.090, 0.12, and 0.14 eV, and the conduction band offsets of 0.34, 0.79, and 1.87 eV, for x values of 0.1, 0.4, and 0.8, respectively. The small band offset for the valence band is attributed to the fact that the valence band of oxides is constituted by the localized O 2p level, which is dominated by the nature of oxygen atoms. The type-I band discontinuity is desirable for a variety of heterostructure devices.

  11. Pressure dependence of band-gap and phase transitions in bulk CuX (X = Cl, Br, I)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Azhikodan, Dilna; Nautiyal, Tashi; Sharma, S.

    2016-05-06

    Usually a phase transition, in theoretical studies, is explored or verified by studying the total energy as a function of the volume considering various plausible phases. The intersection point, if any, of the free energy vs. volume curves for the different phases is then the indicator of the phase transition(s). The question is, can the theoretical study of a single phase alone indicate a phase transition? i.e. can we look beyond the phase under consideration through such a study? Using density-functional theory, we report a novel approach to suggest phase transition(s) through theoretical study of a single phase. Copper halidesmore » have been engaged for this study. These are direct band-gap semiconductors, with zinc blende structure at ambient conditions, and are reported to exhibit many phase transitions. We show that the study of volume dependence of energy band-gap in a single phase facilitates looking beyond the phase under consideration. This, when translated to pressures, reflects the phase transition pressures for CuX (X = Cl, Br, I) with an encouraging accuracy. This work thus offers a simple, yet reliable, approach based on electronic structure calculations to investigate new semiconducting materials for phase changes under pressure.« less

  12. X-band EPR setup with THz light excitation of Novosibirsk Free Electron Laser: Goals, means, useful extras

    NASA Astrophysics Data System (ADS)

    Veber, Sergey L.; Tumanov, Sergey V.; Fursova, Elena Yu.; Shevchenko, Oleg A.; Getmanov, Yaroslav V.; Scheglov, Mikhail A.; Kubarev, Vitaly V.; Shevchenko, Daria A.; Gorbachev, Iaroslav I.; Salikova, Tatiana V.; Kulipanov, Gennady N.; Ovcharenko, Victor I.; Fedin, Matvey V.

    2018-03-01

    Electron Paramagnetic Resonance (EPR) station at the Novosibirsk Free Electron Laser (NovoFEL) user facility is described. It is based on X-band (∼9 GHz) EPR spectrometer and operates in both Continuous Wave (CW) and Time-Resolved (TR) modes, each allowing detection of either direct or indirect influence of high-power NovoFEL light (THz and mid-IR) on the spin system under study. The optics components including two parabolic mirrors, shutters, optical chopper and multimodal waveguide allow the light of NovoFEL to be directly fed into the EPR resonator. Characteristics of the NovoFEL radiation, the transmission and polarization-retaining properties of the waveguide used in EPR experiments are presented. The types of proposed experiments accessible using this setup are sketched. In most practical cases the high-power radiation applied to the sample induces its rapid temperature increase (T-jump), which is best visible in TR mode. Although such influence is a by-product of THz radiation, this thermal effect is controllable and can deliberately be used to induce and measure transient signals of arbitrary samples. The advantage of tunable THz radiation is the absence of photo-induced processes in the sample and its high penetration ability, allowing fast heating of a large portion of virtually any sample and inducing intense transients. Such T-jump TR EPR spectroscopy with THz pulses has been previewed for the two test samples, being a useful supplement for the main goals of the created setup.

  13. Symposium on electron linear accelerators in honor of Richard B. Neal's 80th birthday: Proceedings

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Siemann, R.H.

    The papers presented at the conference are: (1) the construction of SLAC and the role of R.B. Neal; (2) symposium speech; (3) lessons learned from the SLC; (4) alternate approaches to future electron-positron linear colliders; (5) the NLC technical program; (6) advanced electron linacs; (7) medical uses of linear accelerators; (8) linac-based, intense, coherent X-ray source using self-amplified spontaneous emission. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

  14. Development of new S-band RF window for stable high-power operation in linear accelerator RF system

    NASA Astrophysics Data System (ADS)

    Joo, Youngdo; Lee, Byung-Joon; Kim, Seung-Hwan; Kong, Hyung-Sup; Hwang, Woonha; Roh, Sungjoo; Ryu, Jiwan

    2017-09-01

    For stable high-power operation, a new RF window is developed in the S-band linear accelerator (Linac) RF systems of the Pohang Light Source-II (PLS-II) and the Pohang Accelerator Laboratory X-ray Free-Electron Laser (PAL-XFEL). The new RF window is designed to mitigate the strength of the electric field at the ceramic disk and also at the waveguide-cavity coupling structure of the conventional RF window. By replacing the pill-box type cavity in the conventional RF window with an overmoded cavity, the electric field component perpendicular to the ceramic disk that caused most of the multipacting breakdowns in the ceramic disk was reduced by an order of magnitude. The reduced electric field at the ceramic disk eliminated the Ti-N coating process on the ceramic surface in the fabrication procedure of the new RF window, preventing the incomplete coating from spoiling the RF transmission and lowering the fabrication cost. The overmoded cavity was coupled with input and output waveguides through dual side-wall coupling irises to reduce the electric field strength at the waveguide-cavity coupling structure and the possibility of mode competitions in the overmoded cavity. A prototype of the new RF window was fabricated and fully tested with the Klystron peak input power, pulse duration and pulse repetition rate of 75 MW, 4.5 μs and 10 Hz, respectively, at the high-power test stand. The first mass-produced new RF window installed in the PLS-II Linac is running in normal operation mode. No fault is reported to date. Plans are being made to install the new RF window to all S-band accelerator RF modules of the PLS-II and PAL-XFEL Linacs. This new RF window may be applied to the output windows of S-band power sources like Klystron as wells as the waveguide windows of accelerator facilities which operate in S-band.

  15. Role of modified Becke-Johnson potential in computation of electronic and optical properties of mixed crystals CdxZn1-xSe

    NASA Astrophysics Data System (ADS)

    Talreja, Sonal; Ahuja, B. L.

    2015-08-01

    Electronic and optical properties of CdxZn1-xSe (x = 0, 0.25, 0.5, 0.75, 1) compounds are investigated using the first-principles full potential linearized augmented plane wave method. In particular, we have used modified version of the exchange potential of Becke and Johnson, so called mBJ potential. We have discussed the energy bands, density of states, and optical properties such as dielectric constants, refractive indices, reflection spectra, extinction coefficients of all the CdxZn1-xSe compounds. Our mBJ potential based data are found to be in excellent agreement with the available experimental data, which unambiguously validates the applicability of orbital independent exchange-correlation potential in mixed semiconductor crystals. The optical properties are discussed in terms of applicability of Cd-Zn-Se system in light-emitting diodes, UV detectors and filters, etc.

  16. X-Band, 17-Watt Solid-State Power Amplifier

    NASA Technical Reports Server (NTRS)

    Mittskus, Anthony; Stone, Ernest; Boger, William; Burgess, David; Honda, Richard; Nuckolls, Carl

    2005-01-01

    An advanced solid-state power amplifier that can generate an output power of as much as 17 W at a design operating frequency of 8.4 GHz has been designed and constructed as a smaller, lighter, less expensive alternative to traveling-wave-tube X-band amplifiers and to prior solid-state X-band power amplifiers of equivalent output power. This amplifier comprises a monolithic microwave integrated circuit (MMIC) amplifier module and a power-converter module integrated into a compact package (see Figure 1). The amplifier module contains an input variable-gain amplifier (VGA), an intermediate driver stage, a final power stage, and input and output power monitors (see Figure 2). The VGA and the driver amplifier are 0.5-m GaAs-based metal semiconductor field-effect transistors (MESFETs). The final power stage contains four parallel high-efficiency, GaAs-based pseudomorphic high-electron-mobility transistors (PHEMTs). The gain of the VGA is voltage-variable over a range of 10 to 24 dB. To provide for temperature compensation of the overall amplifier gain, the gain-control voltage is generated by an operational-amplifier circuit that includes a resistor/thermistor temperature-sensing network. The driver amplifier provides a gain of 14 dB to an output power of 27 dBm to drive the four parallel output PHEMTs, each of which is nominally capable of putting out as much as 5 W. The driver output is sent to the input terminals of the four parallel PHEMTs through microstrip power dividers; the outputs of these PHEMTs are combined by microstrip power combiners (which are similar to the microstrip power dividers) to obtain the final output power of 17 W.

  17. Convergence of electronic bands for high performance bulk thermoelectrics.

    PubMed

    Pei, Yanzhong; Shi, Xiaoya; LaLonde, Aaron; Wang, Heng; Chen, Lidong; Snyder, G Jeffrey

    2011-05-05

    Thermoelectric generators, which directly convert heat into electricity, have long been relegated to use in space-based or other niche applications, but are now being actively considered for a variety of practical waste heat recovery systems-such as the conversion of car exhaust heat into electricity. Although these devices can be very reliable and compact, the thermoelectric materials themselves are relatively inefficient: to facilitate widespread application, it will be desirable to identify or develop materials that have an intensive thermoelectric materials figure of merit, zT, above 1.5 (ref. 1). Many different concepts have been used in the search for new materials with high thermoelectric efficiency, such as the use of nanostructuring to reduce phonon thermal conductivity, which has led to the investigation of a variety of complex material systems. In this vein, it is well known that a high valley degeneracy (typically ≤6 for known thermoelectrics) in the electronic bands is conducive to high zT, and this in turn has stimulated attempts to engineer such degeneracy by adopting low-dimensional nanostructures. Here we demonstrate that it is possible to direct the convergence of many valleys in a bulk material by tuning the doping and composition. By this route, we achieve a convergence of at least 12 valleys in doped PbTe(1-x)Se(x) alloys, leading to an extraordinary zT value of 1.8 at about 850 kelvin. Band engineering to converge the valence (or conduction) bands to achieve high valley degeneracy should be a general strategy in the search for and improvement of bulk thermoelectric materials, because it simultaneously leads to a high Seebeck coefficient and high electrical conductivity. ©2011 Macmillan Publishers Limited. All rights reserved

  18. Self-shielded electron linear accelerators designed for radiation technologies

    NASA Astrophysics Data System (ADS)

    Belugin, V. M.; Rozanov, N. E.; Pirozhenko, V. M.

    2009-09-01

    This paper describes self-shielded high-intensity electron linear accelerators designed for radiation technologies. The specific property of the accelerators is that they do not apply an external magnetic field; acceleration and focusing of electron beams are performed by radio-frequency fields in the accelerating structures. The main characteristics of the accelerators are high current and beam power, but also reliable operation and a long service life. To obtain these characteristics, a number of problems have been solved, including a particular optimization of the accelerator components and the application of a variety of specific means. The paper describes features of the electron beam dynamics, accelerating structure, and radio-frequency power supply. Several compact self-shielded accelerators for radiation sterilization and x-ray cargo inspection have been created. The introduced methods made it possible to obtain a high intensity of the electron beam and good performance of the accelerators.

  19. Laser spectroscopy of the A ˜ 2 Σ + - X ˜ 2 Π i band system of l-SiC3H

    NASA Astrophysics Data System (ADS)

    Umeki, Hiroya; Nakajima, Masakazu; Endo, Yasuki

    2015-11-01

    The A ˜ 2 Σ + - X ˜ 2 Π i band system of l-SiC3H in the region 14 700-16 300 cm-1 was re-investigated by laser induced fluorescence (LIF) and fluorescence depletion spectroscopy. Rotational analyses were made for three intense bands 00 0 , 40 1 , and 60 1 70 1 by observing high-resolution LIF excitation spectra. The determined rotational constants demonstrate that SiC3H is linear in the A ˜ state, as is the case in the X ˜ state, and the observed band types are consistent with the vibrational assignments. The ν3 ″ (C1-C2 stretch) level was identified in a newly observed dispersed fluorescence spectrum from the zero-vibrational level of the A ˜ state.

  20. INFLUENCE OF THE CHEMICAL POTENTIAL ON THE CARRIER EFFECTIVE MASS IN THE THERMOELECTRIC SOLID SOLUTION Cu2Zn1-xFexGeSe4

    NASA Astrophysics Data System (ADS)

    Zeier, Wolfgang G.; Day, Tristan; Schechtel, Eugen; Snyder, G. Jeffrey; Tremel, Wolfgang

    2013-08-01

    In this paper, we describe the synthesis and characterization of the solid solution Cu2Zn1-xFexGeSe4. Electronic transport data have been analyzed using a single parabolic band model and have been compared to Cu2+xZn1-xGeSe4. The effective mass of these undoped, intrinsically hole conducting materials increases linearly with increasing carrier concentration, showing a non-parabolic transport behavior within the valence band.

  1. Electron temperature from x-ray continuum measurements on the NIF

    NASA Astrophysics Data System (ADS)

    Jarrott, Leonard; Bachmann, Benjamin; Benedetti, Robin; Izumi, Nobuhiko; Khan, Shahab; Landen, Otto; Ma, Tammy; Nagel, Sabrina; Pak, Arthur; Patel, Prav; Schneider, Marilyn; Springer, Paul; LLNL Collaboration

    2017-10-01

    We report on measurements of the electron temperature within the hot spot of inertially confined, layered implosions on the NIF using a titanium differential filtering x-ray diagnostic. The electron temperature from x-ray emission is insensitive to non-thermal velocity flows as is the case with ion temperature measurements and is thus a critical parameter in interpreting stagnated hot spot conditions. Here we discuss measurements using titanium filters ranging from 10 μm to 1mm in thickness with a sensitivity band of 10-30keV coupled with penumbral pinholes. The use of larger pinhole diameters increases x-ray fluence improving sensitivity of photon energies with minimal attenuation from the compressed fuel/shell. This diagnostic has been fielded on a series of cryogenic shots with DT ion temperatures ranging from 2-5keV. Analysis of the measurement will be presented along with a comparison against simulated electron temperatures and x-ray spectra as well as a comparison to DT ion temperature measurements. This work was performed under the auspices of U.S. DoE by LLNL under Contract No. DE-AC52-07NA27344.

  2. Onion-like nanoscale structures and fullerene-type cages formed by electron irradiation on turbostratic B{sub x}C{sub 1{minus}x} (x<0.2)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Golberg, D.; Bando, Y.; Kurashima, K.

    Flakes of CVD grown B{sub x}C{sub 1{minus}x} (x<0.2) films were exposed to intense electron irradiation (flux density up to {approximately}100 A/cm{sup 2}) in a 300 kV high resolution electron microscope equipped with a field emission gun. The starting flakes revealed a turbostratic B{sub x}C{sub 1{minus}x} structure. The composition of the starting materials and irradiated products was determined by using electron energy loss spectroscopy (EELS). Depending on the electron dose applied, irradiation of the turbostratic material led to formation of soap-bubble-like irregularly-shaped objects (linear dimensions of {approximately}2--5 nm), onion- and semi-onion-like structures (d{approximately}10nm), nested fullerenes (3--14 shells) and elementary fullerene-type cagesmore » (d{approximately}0.7 nm). It is thought that these curled and closed nanostructures arise from a continuous bending of the hexagonal B{sub x}C{sub 1{minus}x} sheets under electron irradiation. Finally, some possible structural models of B{sub x}C{sub 1{minus}x} fullerenes are considered.« less

  3. First-principle calculations of structural, electronic, optical, elastic and thermal properties of MgXAs2 (X=Si, Ge) compounds

    NASA Astrophysics Data System (ADS)

    Cheddadi, S.; Boubendira, K.; Meradji, H.; Ghemid, S.; Hassan, F. El Haj; Lakel, S.; Khenata, R.

    2017-12-01

    First-principle calculations on the structural, electronic, optical, elastic and thermal properties of the chalcopyrite MgXAs2 (X=Si, Ge) have been performed within the density functional theory (DFT) using the full-potential linearized augmented plane wave (FP-LAPW) method. The obtained equilibrium structural parameters are in good agreement with the available experimental data and theoretical results. The calculated band structures reveal a direct energy band gap for the interested compounds. The predicted band gaps using the modified Becke-Johnson (mBJ) exchange approximation are in fairly good agreement with the experimental data. The optical constants such as the dielectric function, refractive index, and the extinction coefficient are calculated and analysed. The independent elastic parameters namely, C_{11}, C_{12}, C_{13}, C_{33}, C_{44} and C_{66 } are evaluated. The effects of temperature and pressure on some macroscopic properties of MgSiAs2 and MgGeAs2 are predicted using the quasiharmonic Debye model in which the lattice vibrations are taken into account.

  4. First-principles study of structural, electronic, linear and nonlinear optical properties of Ga{2}PSb ternary chalcopyrite

    NASA Astrophysics Data System (ADS)

    Ouahrani, T.; Reshak, A. H.; de La Roza, A. Otero; Mebrouki, M.; Luaña, V.; Khenata, R.; Amrani, B.

    2009-12-01

    We report results from first-principles density functional calculations using the full-potential linear augmented plane wave (FP-LAPW) method. The generalized gradient approximation (GGA) and the Engel-Vosko-generalized gradient approximation (EV-GGA) were used for the exchange-correlation energy of the structural, electronic, linear and nonlinear optical properties of the chalcopyrite Ga2PSb compound. The valence band maximum (VBM) is located at the Γv point, and the conduction band minimum (CBM) is located at the Γc point, resulting in a direct band gap of about 0.365 eV for GGA and 0.83 eV for EV-GGA. In comparison with the experimental one (1.2 eV) we found that EV-GGA calculation gives energy gap in reasonable agreement with the experiment. The spin orbit coupling has marginal influence on the optical properties. The ground state quantities such as lattice parameters (a, c and u), bulk modules B and its pressure derivative B^primeare evaluated.

  5. Numerical modeling and experiments by forming electron beam for relativistic klystron on linear induction accelerator

    NASA Astrophysics Data System (ADS)

    Furman, Edvin G.; Isakov, Petr Y.; Sulakshin, Alexander S.; Vasil'ev, Vasilii V.

    1995-09-01

    The results of numercial modeling and experimental investigations of the linear induction accelerator operation where relativistic clystron is applied as a load are presented. The electron gun with the dielectric emitter (DE) is employed as the injector for this system. As a result of this investigation, the electro-optical system has been successfully realized allowing us to form electron beams sufficiently homogeneous in cross-section with current level of no less than 150 A. Compression of the beam from DE at the first stage of moving is supported, essentially, due to a system of focusing electrodes, similar to Pierce optics. Then, compression of the beam to the size required for its free motion in the anode tract and clystron's drift tube occurs in increasing external magnetic field. In this purpose, the configuration of tracking magnetic field was calculated and suitable magnetic system has been made. The results obtained experimentally are in good agreement with calculated data. With emitting dielectric surface of 50mm in diameter the laminar electron beam of 8mm in diameter was obtained. At accelerating voltage of 400kV and pulse duration of 120ns, required for the excitation of the X-band clystron amplifier the value of current was of the order of 200 A. Prints of the beam on targets allow us to make the same findings.

  6. X-band Electron Paramagnetic Resonance Investigation of Stable Organic Radicals Present under Cold Stratification in 'Fuji' Apple Seeds.

    PubMed

    Nakagawa, Kouichi; Matsumoto, Kazuhiro; Chaiserm, Nattakan; Priprem, Aroonsri

    2017-01-01

    We investigated stable organic radicals formed in response to cold stratification in 'Fuji' apple seeds using X-band (9 GHz) electron paramagnetic resonance (EPR) technique. This technique primarily detected two paramagnetic species in each seed. These two different radical species were assigned as a stable organic radical and Mn 2+ species based on the g values and hyperfine components. Signal from the stable radicals was noted at a g value of about 2.00 and was strong and relatively stable. Significant radical intensity changes were observed in apple seeds on refrigeration along with water supplementation. The strongest radical intensity and a very weak Mn 2+ signal were also observed for the seeds kept in moisture-containing sand in a refrigerator. Noninvasive EPR of the radicals present in each seed revealed that the stable radicals were located primarily in the seed coat. These results indicate that the significant radical intensity changes in apple seeds under refrigeration for at least 90 days followed by water supplementation for one week, can be related to cold stratification of the seeds.

  7. Spectroscopic study of hafnium silicate alloys prepared by RPECVD: Comparisons between conduction/valence band offset energies and optical band gaps

    NASA Astrophysics Data System (ADS)

    Hong, Joon Goo

    Aggressive scaling of devices has continued to improve MOSFET transistor performance. As lateral device dimensions continue to decrease, gate oxide thickness must be scaled down. As one of the promising high k alternative gate oxide materials, HfO2 and its silicates were investigated to understand their direct tunneling behavior by studying band offset energies with spectroscopy and electrical characterization. Local bonding change of remote plasma deposited (HfO2)x(SiO 2)1-x alloys were characterized by Fourier transform infrared (FTIR) spectroscopy, x-ray photoelectron spectroscopy (XPS), and Auger electron spectroscopy (AES) as a function of alloy composition, x. Two different precursors with Hf Nitrato and Hf-tert-butoxide were tested to have amorphous deposition. Film composition was determined off-line by Rutherford backscattering spectroscopy (RBS) and these results were calibrated with on-line AES. As deposited Hf-silicate alloys were characterized by off-line XPS and AES for their chemical shifts interpreting with a partial charge transfer model as well as coordination changes. Sigmoidal dependence of valence band offset energies was observed. Hf 5d* state is fixed at the bottom of the conduction band and located at 1.3 +/- 0.2 eV above the top of the Si conduction band as a conduction band offset by x-ray absorption spectroscopy (XAS). Optical band gap energy changes were observed with vacuum ultra violet spectroscopic ellipsometry (VUVSE) to verify compositional dependence of conduction and valence band offset energy changes. 1 nm EOT normalized tunneling current with Wentzel-Kramer-Brillouin (WKB) simulation based on the band offset study and Franz two band model showed the minimum at the intermediate composition matching with the experimental data. Non-linear trend in tunneling current was observed because the increases in physical thickness were mitigated by reductions in band offset energies and effective mass for tunneling. C-V curves were compared

  8. V x In (2–x) S 3 Intermediate Band Absorbers Deposited by Atomic Layer Deposition

    DOE PAGES

    McCarthy, Robert F.; Weimer, Matthew S.; Haasch, Richard T.; ...

    2016-03-21

    Substitutional alloys of several thin film semiconductors have been proposed as intermediate band (IB) materials for use in next-generation photovoltaics, which aim to utilize a larger fraction of the solar spectrum without sacrificing significant photovoltage. Here, we demonstrate a novel approach to IB material growth, namely atomic layer deposition (ALD), to enable unique control over substitutional-dopant location and density. Two new ALD processes for vanadium sulfide incorporation are introduced, one of which incorporates a vanadium (III) amidinate previously untested for ALD. We synthesize the first thin film V xIn (2-x)S 3 intermediate band semiconductors, using this process, and further demonstratemore » that the V:In ratio, and therefore intraband gap density of states, can be finely tuned according to the ALD dosing schedule. Deposition on a crystalline In 2S 3 underlayer promotes the growth of a tetragonal β-In 2S 3-like phase V xIn (2-x)S 3, which exhibits a distinct sub-band gap absorption peak with onset near 1.1 eV in agreement with computational predictions. But, the V xIn (2-x)S 3 films lack the lower energy transition predicted for a partially filled IB, and photoelectrochemical devices reveal a photocurrent response only from illumination with energy sufficient to span the parent band-gap.« less

  9. A class of monolayer metal halogenides MX{sub 2}: Electronic structures and band alignments

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lu, Feng; Wang, Weichao; Luo, Xiaoguang

    2016-03-28

    With systematic first principles calculations, a class of monolayer metal halogenides MX{sub 2} (M = Mg, Ca, Zn, Cd, Ge, Pb; M = Cl, Br, I) has been proposed. Our study indicates that these monolayer materials are semiconductors with the band gaps ranging from 2.03 eV of ZnI{sub 2} to 6.08 eV of MgCl{sub 2}. Overall, the band gap increases with the increase of the electronegativity of the X atom or the atomic number of the metal M. Meanwhile, the band gaps of monolayer MgX{sub 2} (X = Cl, Br) are direct while those of other monolayers are indirect. Based on the band edge curvatures, the derived electronmore » (m{sub e}) and hole (m{sub h}) effective masses of MX{sub 2} monolayers are close to their corresponding bulk values except that the m{sub e} of CdI{sub 2} is three times larger and the m{sub h} for PbI{sub 2} is twice larger. Finally, the band alignments of all the studied MX{sub 2} monolayers are provided using the vacuum level as energy reference. These theoretical results may not only introduce the monolayer metal halogenides family MX{sub 2} into the emerging two-dimensional materials, but also provide insights into the applications of MX{sub 2} in future electronic, visible and ultraviolet optoelectronic devices.« less

  10. Electron Beam Production and Characterization for the PLEIADES Thomson X-ray Source

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, W J; Hartemann, F V; Tremaine, A M

    2002-10-14

    We report on the performance of an S-band RF photocathode electron gun and accelerator for operation with the PLEIADES Thomson x-ray source at LLNL. Simulations of beam production, transport, and focus are presented. It is shown that a 1 ps, 500 pC electron bunch with a normalized emittance of less than 5 {pi}mm-mrad can be delivered to the interaction point. Initial electron measurements are presented. Calculations of expected x-ray flux are also performed, demonstrating an expected peak spectral brightness of 10{sup 20} photons/s/mm{sup 2}/mrad{sup 2}/0.1% bandwidth. Effects of RF phase jitter are also presented, and planned phase measurements and controlmore » methods are discussed.« less

  11. Structural and optical properties of electron-beam-evaporated ZnSe 1- x Te x Ternary compounds with various Te contents

    NASA Astrophysics Data System (ADS)

    Suthagar, J.; Suthan Kissinger, N. J.; Sharli Nath, G. M.; Perumal, K.

    2014-01-01

    ZnSe1- x Te x films with different tellurium (Te) contents were deposited by using an electron beam (EB) evaporation technique onto glass substrates for applications to optoelectronic devices. The structural and the optical properties of the ZnSe1- x Te x films were studied in the present work. The host material ZnSe1- x Te x , were prepared by using the physical vapor deposition method of the electron beam evaporation technique (PVD: EBE) under a pressure of 1 × 10-5 mbar. The X-ray diffractogram indicated that these alloy films had cubic structure with a strong preferential orientation of the crystallites along the (1 1 1) direction. The optical properties showed that the band gap (E g ) values varied from 2.73 to 2.41 eV as the tellurium content varied from 0.2 to 0.8. Thus the material properties can be altered and excellently controlled by controlling the system composition x.

  12. Role of biaxial strain and microscopic ordering for structural and electronic properties of InxGa1 -xN

    NASA Astrophysics Data System (ADS)

    Cui, Ying; Lee, Sangheon; Freysoldt, Christoph; Neugebauer, Jörg

    2015-08-01

    The structural and electronic properties of InxGa1 -xN alloys are studied as a function of c -plane biaxial strain and In ordering by density functional theory with the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional. A nonlinear variation of the c lattice parameter with In content is observed in biaxial strain and should be taken into account when deducing In content from interplanar distances. From compressive to tensile strain, the character of the top valence-band state changes, leading to a nonlinear variation of the band gap in InxGa1 -xN . Interestingly, the well-known bowing of the InxGa1 -xN band gap is largely removed for alloys grown strictly coherently on GaN, while the actual values for band gaps at x <0.33 are hardly affected by strain. Ordering plays a minor role for lattice constants but may induce changes of the band gap up to 0.15 eV.

  13. Structural and Optical Properties of Cd 1- x Se x Thin Films Deposited by Electron Beam Evaporation Technique

    NASA Astrophysics Data System (ADS)

    Tripathi, Ravishankar Nath; Verma, Aneet Kumar; Rahul, Vishwakarma, S. R.

    2011-10-01

    Cadmium selenide (CdSe) thin films deposited by means of electron beam evaporation technique under high vacuum ˜10 -5 torr on ultrasonically cleaned glass substrate. Using stating materials of various compositions of cadmium and selenium using formula Cd 1- x Se x where x is orbitory constant having value 0.20≤ x ≤0.40 here we take less value of x for the creation of anion vacancy in thin films. In present work the structural properties have been studies using XRD technique and found that starting materials and thin films both are polycrystalline in nature having hexagonal structure. Here we study the effect of composition ratio Cd/Se in starting material and its prepared thin films on its grain size and lattice parameter. From the analysis of X-Ray diffractogram found that lattice parameter and grain size both are decreases with increasing Cd/Se ratio in thin films as well as in starting material the preferred orientation in thin films along (100) plane. The surface morphology was studied using SEM characterization and found that films are smooth and homogeneous. The films have been analysed for optical band gap and absorbed a direct band gap.

  14. Evolution of orientation degree, lattice dynamics and electronic band structure properties in nanocrystalline lanthanum-doped bismuth titanate ferroelectric films by chemical solution deposition.

    PubMed

    Zhang, Jinzhong; Chen, Xiangui; Jiang, Kai; Shen, Yude; Li, Yawei; Hu, Zhigao; Chu, Junhao

    2011-08-21

    Ferroelectric lanthanum (La)-substituted bismuth titanate (Bi(4-x)La(x)Ti(3)O(12), BLT) nanocrystalline films with the composition range of 0 ≤x≤ 1 have been directly deposited on n-type Si (100) substrates by chemical solution deposition. The La substitution effects on the preferred orientation, surface morphology, phonon modes, emission bands and electronic band structures of the BLT films have been investigated by microscopy, Raman scattering, photoluminescence and spectroscopic ellipsometry at room temperature. X-Ray diffraction analysis shows that the films are polycrystalline and exhibit the pure perovskite phase structure. With increasing La composition, the (100)-orientation degree can be enhanced and the root-mean-square roughnesses slightly increase from 6.5 to 8.3 nm. It was found that the Raman-active mode A(1g)[Bi] at about 59 cm(-1) is unchanged while the B(1g) and A(1g)[Ti] phonon modes at about 648 and 853 cm(-1) are shifted towards higher frequency by about 36.6 and 8.4 cm(-1), respectively. Photoluminescence spectra show that the intensity of the peak located at about 2.3 eV increases with the La composition, except for the Bi(3)LaTi(3)O(12) film, due to the smallest grain size and oxygen vacancy defects. The optical constants of the BLT films have been uniquely extracted by fitting the measured ellipsometric spectra with a four-phase layered model (air/surface rough layer/BLT/Si) in the photon energy range of 0.73-4.77 eV. The Adachi dielectric function model has been successfully applied and reasonably describes the optical response behavior of the ferroelectric BLT films. Moreover, the film packing density decreases while the optical band gap linearly increases from 3.610 ± 0.066 to 3.758 ± 0.068 eV with increasing La composition. It is surmised that the phenomena are mainly ascribed to the variations of the electronic structure, especially for the conduction band, which is perturbed by the La doping. This journal is © The Royal

  15. Band-gap tailoring and visible-light-driven photocatalytic performance of porous (GaN)1-x(ZnO)x solid solution.

    PubMed

    Wu, Aimin; Li, Jing; Liu, Baodan; Yang, Wenjin; Jiang, Yanan; Liu, Lusheng; Zhang, Xinglai; Xiong, Changmin; Jiang, Xin

    2017-02-21

    (GaN) 1-x (ZnO) x solid solution has attracted extensive attention due to its feasible band-gap tunability and excellent photocatalytic performance in overall water splitting. However, its potential application in the photodegradation of organic pollutants and environmental processing has rarely been reported. In this study, we developed a rapid synthesis process to fabricate porous (GaN) 1-x (ZnO) x solid solution with a tunable band gap in the range of 2.38-2.76 eV for phenol photodegradation. Under visible-light irradiation, (GaN) 0.75 (ZnO) 0.25 solid solution achieved the highest photocatalytic performance compared to other (GaN) 1-x (ZnO) x solid solutions with x = 0.45, 0.65 and 0.85 due to its higher redox capability and lower lattice deformation. Slight Ag decoration with a content of 1 wt% on the surface of the (GaN) 0.75 (ZnO) 0.25 solid solution leads to a significant enhancement in phenol degradation, with a reaction rate eight times faster than that of pristine (GaN) 0.75 (ZnO) 0.25 . Interestingly, phenol in aqueous solution (10 mg L -1 ) can also be completely degraded within 60 min, even under the direct exposure of sunlight irradiation. The photocurrent response indicates that the enhanced photocatalytic activity of (GaN) 0.75 (ZnO) 0.25 /Ag is directly induced by the improved transfer efficiency of the photogenerated electrons at the interface. The excellent phenol degradation performance of (GaN) 1-x (ZnO) x /Ag further broadens their promising photocatalytic utilization in environmental processing, besides in overall water splitting for hydrogen production.

  16. Mechanical, Anisotropic, and Electronic Properties of XN (X = C, Si, Ge): Theoretical Investigations

    PubMed Central

    Ma, Zhenyang; Liu, Xuhong; Yu, Xinhai; Shi, Chunlei; Wang, Dayun

    2017-01-01

    The structural, mechanical, elastic anisotropic, and electronic properties of Pbca-XN (X = C, Si, Ge) are investigated in this work using the Perdew–Burke–Ernzerhof (PBE) functional, Perdew–Burke–Ernzerhof for solids (PBEsol) functional, and Ceperly and Alder, parameterized by Perdew and Zunger (CA–PZ) functional in the framework of density functional theory. The achieved results for the lattice parameters and band gap of Pbca-CN with the PBE functional in this research are in good accordance with other theoretical results. The band structures of Pbca-XN (X = C, Si, Ge) show that Pbca-SiN and Pbca-GeN are both direct band gap semiconductor materials with a band gap of 3.39 eV and 2.22 eV, respectively. Pbca-XN (X = C, Si, Ge) exhibits varying degrees of mechanical anisotropic properties with respect to the Poisson’s ratio, bulk modulus, shear modulus, Young’s modulus, and universal anisotropic index. The (001) plane and (010) plane of Pbca-CN/SiN/GeN both exhibit greater elastic anisotropy in the bulk modulus and Young’s modulus than the (100) plane. PMID:28786960

  17. Tropical-forest biomass estimation at X-Band from the spaceborne TanDEM-X interferometer

    Treesearch

    R. Treuhaft; F. Goncalves; J.R. dos Santos; M. Keller; M. Palace; S.N. Madsen; F. Sullivan; P.M.L.A. Graca

    2014-01-01

    This letter reports the sensitivity of X-band interferometric synthetic aperture radar (InSAR) data from the first dual-spacecraft radar interferometer, TanDEM-X, to variations in tropical-forest aboveground biomass (AGB). It also reports the first tropical-forest AGB estimates fromTanDEM-X data. Tropical forests account for...

  18. Revealing the electronic structure of LiC 6 by soft X-ray spectroscopy

    DOE PAGES

    Zhang, L.; Li, X.; Augustsson, A.; ...

    2017-03-09

    The electronic structure of LiC 6 has been investigated in this paper by soft X-ray absorption and emission spectroscopies. The results reveal that upon full lithiation of graphite, the Li 2s electrons are transferred into the carbon π* states in a near rigid-band behavior, resulting in the increased density of states near E F and the shift of σ* states to lower energies. Finally, in addition, the resonant inelastic X-ray scattering spectra of LiC 6 do not show strong dispersive features as that of graphite, indicating that the crystal momentum is not conserved during the scattering process due to themore » delocalization of electrons in the intermediate state.« less

  19. Band gap states in nanocrystalline WO3 thin films studied by soft x-ray spectroscopy and optical spectrophotometry.

    PubMed

    Johansson, M B; Kristiansen, P T; Duda, L; Niklasson, G A; Österlund, L

    2016-11-30

    Nanocrystalline tungsten trioxide (WO3) thin films prepared by DC magnetron sputtering have been studied using soft x-ray spectroscopy and optical spectrophotometry. Resonant inelastic x-ray scattering (RIXS) measurements reveal band gap states in sub-stoichiometric γ-WO3-x with x  =  0.001-0.005. The energy positions of these states are in good agreement with recently reported density functional calculations. The results were compared with optical absorption measurements in the near infrared spectral region. An optical absorption peak at 0.74 eV is assigned to intervalence transfer of polarons between W sites. A less prominent peak at energies between 0.96 and 1.16 eV is assigned to electron excitation of oxygen vacancies. The latter results are supported by RIXS measurements, where an energy loss in this energy range was observed, and this suggests that electron transfer processes involving transitions from oxygen vacancy states can be observed in RIXS. Our results have implications for the interpretation of optical properties of WO3, and the optical transitions close to the band gap, which are important in photocatalytic and photoelectrochemical applications.

  20. Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study.

    PubMed

    Flores, Efracio Mamani; Gouvea, Rogério Almeida; Piotrowski, Maurício Jeomar; Moreira, Mário Lucio

    2018-02-14

    The engineering of semiconductor materials for the development of solar cells is of great importance today. Two topics are considered to be of critical importance for the efficiency of Grätzel-type solar cells, the efficiency of charge separation and the efficiency of charge carrier transfer. Thus, one research focus is the combination of semiconductor materials with the aim of reducing charge recombination, which occurs by spatial charge separation. From an experimental point of view, the combining of materials can be achieved by decorating a core with a shell of another material resulting in a core-shell system, which allows control of the desired photoelectronic properties. In this context, a computational simulation is mandatory for the atomistic understanding of possible semiconductor combinations and for the prediction of their properties. Considering the construction of ZnO/ZnX (X = S, Se or Te) interfaces, we seek to investigate the electronic influence of the shell (ZnX) on the core (ZnO) and, consequently, find out which of the interfaces would present the appropriate properties for (Grätzel-type) solar cell applications. To perform this study, we have employed density functional theory (DFT) calculations, considering the Perdew-Burke-Ernzerhof (PBE) functional. However, it is well-known that plain DFT fails to describe strong electronic correlated materials where, in general, an underestimation of the band gap is obtained. Thus, to obtain the correct description of the electronic properties, a Hubbard correction was employed, i.e. PBE+U calculations. The PBE+U methodology provided the correct electronic structure properties for bulk ZnO in good agreement with experimental values (99.4%). The ZnO/ZnX interfaces were built and were composed of six ZnO layers and two ZnX layers, which represents the decoration process. The core-shell band gap was 2.2 eV for ZnO/ZnS, ∼1.71 eV for ZnO/ZnSe and ∼0.95 eV for ZnO/ZnTe, which also exhibited a type-II band

  1. Ab-initio study of electronic structure and magnetic properties of half-metallic Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Go, Anna, E-mail: annago@alpha.uwb.edu.pl

    2014-11-15

    Ab-initio electronic structure calculations are carried out for quinternary Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} alloys. When x=0 the alloy is half-metallic ferromagnet, with magnetic moment following the Slater–Pauling rule. Replacement of Mn by V, changes its electronic and magnetic structure. V-doped alloys exhibit half-metallic behavior for x≤0.25. However, even for higher V concentrations, electronic spin polarization is still very high, what makes the alloys interesting for spintronic applications. - Graphical abstract: Densities of states of Fe{sub 2}MnSi{sub 0.5}Al{sub 0.5} and magnetic moments of Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5}. - Highlights: • Fe{sub 2}MnSi{sub 0.5}Al{sub 0.5} is a half-metallicmore » ferromagnet with a minority band gap of 0.49 eV. • Half-metallic band gap is very stable against the change of the lattice parameter. • Half-metallic band gap is obtained for Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} for x≤0.25. • Electronic spin polarization is very high and equal to at least 95% for x≤0.625. • The main carrier of magnetism of the compound is manganese.« less

  2. HOM-Free Linear Accelerating Structure for e+ e- Linear Collider at C-Band

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kubo, Kiyoshi

    2003-07-07

    HOM-free linear acceleration structure using the choke mode cavity (damped cavity) is now under design for e{sup +}e{sup -} linear collider project at C-band frequency (5712 MHz). Since this structure shows powerful damping effect on most of all HOMs, there is no multibunch problem due to long range wakefields. The structure will be equipped with the microwave absorbers in each cells and also the in-line dummy load in the last few cells. The straightness tolerance for 1.8 m long structure is closer than 30 {micro}m for 25% emittance dilution limit, which can be achieved by standard machining and braising techniques.more » Since it has good vacuum pumping conductance through annular gaps in each cell, instabilities due to the interaction of beam with the residual-gas and ions can be minimized.« less

  3. X-band EPR setup with THz light excitation of Novosibirsk Free Electron Laser: Goals, means, useful extras.

    PubMed

    Veber, Sergey L; Tumanov, Sergey V; Fursova, Elena Yu; Shevchenko, Oleg A; Getmanov, Yaroslav V; Scheglov, Mikhail A; Kubarev, Vitaly V; Shevchenko, Daria A; Gorbachev, Iaroslav I; Salikova, Tatiana V; Kulipanov, Gennady N; Ovcharenko, Victor I; Fedin, Matvey V

    2018-03-01

    Electron Paramagnetic Resonance (EPR) station at the Novosibirsk Free Electron Laser (NovoFEL) user facility is described. It is based on X-band (∼9 GHz) EPR spectrometer and operates in both Continuous Wave (CW) and Time-Resolved (TR) modes, each allowing detection of either direct or indirect influence of high-power NovoFEL light (THz and mid-IR) on the spin system under study. The optics components including two parabolic mirrors, shutters, optical chopper and multimodal waveguide allow the light of NovoFEL to be directly fed into the EPR resonator. Characteristics of the NovoFEL radiation, the transmission and polarization-retaining properties of the waveguide used in EPR experiments are presented. The types of proposed experiments accessible using this setup are sketched. In most practical cases the high-power radiation applied to the sample induces its rapid temperature increase (T-jump), which is best visible in TR mode. Although such influence is a by-product of THz radiation, this thermal effect is controllable and can deliberately be used to induce and measure transient signals of arbitrary samples. The advantage of tunable THz radiation is the absence of photo-induced processes in the sample and its high penetration ability, allowing fast heating of a large portion of virtually any sample and inducing intense transients. Such T-jump TR EPR spectroscopy with THz pulses has been previewed for the two test samples, being a useful supplement for the main goals of the created setup. Copyright © 2018 Elsevier Inc. All rights reserved.

  4. The electronic and optical properties of quaternary GaAs1-x-y N x Bi y alloy lattice-matched to GaAs: a first-principles study.

    PubMed

    Ma, Xiaoyang; Li, Dechun; Zhao, Shengzhi; Li, Guiqiu; Yang, Kejian

    2014-01-01

    First-principles calculations based on density functional theory have been performed for the quaternary GaAs1-x-y N x Bi y alloy lattice-matched to GaAs. Using the state-of-the-art computational method with the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, electronic, and optical properties were obtained, including band structures, density of states (DOSs), dielectric function, absorption coefficient, refractive index, energy loss function, and reflectivity. It is found that the lattice constant of GaAs1-x-y N x Bi y alloy with y/x =1.718 can match to GaAs. With the incorporation of N and Bi into GaAs, the band gap of GaAs1-x-y N x Bi y becomes small and remains direct. The calculated optical properties indicate that GaAs1-x-y N x Bi y has higher optical efficiency as it has less energy loss than GaAs. In addition, it is also found that the electronic and optical properties of GaAs1-x-y N x Bi y alloy can be further controlled by tuning the N and Bi compositions in this alloy. These results suggest promising applications of GaAs1-x-y N x Bi y quaternary alloys in optoelectronic devices.

  5. Mars Global Surveyor Ka-Band Frequency Data Analysis

    NASA Astrophysics Data System (ADS)

    Morabito, D.; Butman, S.; Shambayati, S.

    2000-01-01

    for the feed and electronics equipment. A dichroic plate is used to reflect the X-band energy and pass the Ka-band energy to another mirror. The RF energy for each band is then focused onto a feed horn and low-noise amplifier package. After amplification and RF/IF downconversion, the IF signals are sent to the Experimental Tone Tracker (ETT), a digital phase-lock-loop receiver, which simultaneously tracks both X-band and Ka-band carrier signals. Once a signal is detected, the ETT outputs estimates of the SNR in a I -Hz bandwidth (Pc/No), baseband phase and frequency of the signals every I -sec. Between December 1996 and December 1998, the Ka-band and X-band signals from MGS were tracked on a regular basis using the ETT. The Ka-band downlink frequencies described here were referenced to the spacecraft's on-board USO which was also the X-band frequency reference (fka= 3.8 fx). The ETT estimates of baseband phase at I -second sampled time tags were converted to sky frequency estimates. Frequency residuals were then generated for each band by removing a model frequency from each observable frequency at each time tag. The model included Doppler and other effects derived from spacecraft trajectory files obtained from the MGS Navigation Team. A simple troposphere correction was applied to the data. In addition to residuals, the USO frequencies emitted by the spacecraft were estimated. For several passes, the USO frequencies were determined from X-band data and from Ka-band data (referred to X-band by dividing by 3.8) and were found to be in good agreement. In addition, X-band USO frequency estimates from MGS Radio Science data acquired from operational DSN stations were available for comparison and were found to agree within the I Hz level. The remaining sub-Hertz differences were attributed to the different models and software algorithms used by MGS Radio Science and KaBLE-11. A summary of the results of a linear fit of the USO frequency versus time (day of year) is

  6. Electronic materials with a wide band gap: recent developments

    PubMed Central

    Klimm, Detlef

    2014-01-01

    The development of semiconductor electronics is reviewed briefly, beginning with the development of germanium devices (band gap E g = 0.66 eV) after World War II. A tendency towards alternative materials with wider band gaps quickly became apparent, starting with silicon (E g = 1.12 eV). This improved the signal-to-noise ratio for classical electronic applications. Both semiconductors have a tetrahedral coordination, and by isoelectronic alternative replacement of Ge or Si with carbon or various anions and cations, other semiconductors with wider E g were obtained. These are transparent to visible light and belong to the group of wide band gap semiconductors. Nowadays, some nitrides, especially GaN and AlN, are the most important materials for optical emission in the ultraviolet and blue regions. Oxide crystals, such as ZnO and β-Ga2O3, offer similarly good electronic properties but still suffer from significant difficulties in obtaining stable and technologically adequate p-type conductivity. PMID:25295170

  7. The excitonic photoluminescence mechanism and lasing action in band-gap-tunable CdS(1-x)Se(x) nanostructures.

    PubMed

    Dai, Jun; Zhou, Pengxia; Lu, Junfeng; Zheng, Hongge; Guo, Jiyuan; Wang, Fang; Gu, Ning; Xu, Chunxiang

    2016-01-14

    Bandgap tunable semiconductor materials have wide application in integrated-optoelectronic and communication devices. The CdS1-xSex ternary semiconductor materials covering green-red bands have been reported previously, but their basic band-gap and optical properties crucial to the performance of the CdS1-xSex-based optoelectronic devices have not been deeply understood. In this paper, we theoretically simulated and discussed the feasibility of bandgap-tunable CdS1-xSex nanomaterials for designing wavelength tunable microlasers. Then we fabricated the CdS1-xSex nanobelts with their band gap ranging from 2.4 to 1.74 eV by adjusting the composition ratio x in the vapor-phase-transport growth process. The temperature-dependent photoluminescence and exciton-related optical constants of the CdS1-xSex nanobelts were carefully demonstrated. Finally, the wavelength-tunable Fabry-Perot lasing in CdS1-xSex nanobelts was obtained, and the Fabry-Perot lasing mechanism was numerically simulated by the FDTD method. The systematic results on the mechanism of the tunable band gap, exciton properties and lasing of the CdS1-xSex nanostructure help us deeply understand the intrinsic optical properties of this material, and will build a strong foundation for future application of green-red wavelength-tunable CdS1-xSex microlasers.

  8. Electronic excitations in electron-doped cuprate superconductors

    NASA Astrophysics Data System (ADS)

    Unger, P.; Fulde, P.

    1995-04-01

    We calculate the electronic single-particle spectrum of an electron-doped cuprate superconductor such as Nd2-xCexCuO4-y. The dynamics of holes in the Cu-O planes is described by the extended Hubbard or Emery model. We consider the system at half-filling (one hole per unit cell, nh=1) and in the case of electron doping where the ground state is paramagnetic. The projection technique of Mori and Zwanzig is applied to derive the equations of motion for the Green's functions of Cu and O holes. These equations are solved self-consistently as in a previous calculation, where we considered the case of hole doping. At half-filling the system exhibits a charge-transfer gap bounded by Zhang-Rice singlet states and the upper Hubbard band. Upon electron doping the upper Hubbard band crosses the Fermi level and the system becomes metallic. With increasing electron doping the singlet band loses intensity and finally vanishes for nh=0. The corresponding spectral weight is transferred to the upper Hubbard band, which becomes a usual tight-binding band for zero hole concentration. The shape of the flat band crossing the Fermi level fits well to angle-resolved photoemission spectra of Nd2-xCexCuO4-y for x=0.15 and 0.22. Furthermore, our findings are in excellent agreement with exact diagonalization studies of 2×2 CuO2 cluster with periodic boundary conditions.

  9. Inverted S-Shaped Compact Antenna for X-Band Applications

    PubMed Central

    Samsuzzaman, M.; Islam, M. T.

    2014-01-01

    A novel probe-fed compact inverted S-shaped multifrequency patch antenna is designed. By employing two rectangular slots that change the conventional rectangular patch into an inverted S-shaped patch, the antenna is able to operate in triple frequency in the X-band. The performance criteria of the proposed design have been experimentally verified by fabricating a printed prototype. The measured results show that the −10 dB impedance bandwidth of the proposed antenna at lower band is 5.02% (8.69–9.14 GHz), at middle band is 9.13% (10.47–11.48 GHz), and at upper band is 3.79% (11.53–11.98 GHz). Two elliptical slots are introduced in the ground plane to increase the peak gain. The antenna is excited by a simple probe feeding mechanism. The overall antenna dimension is  0.52λ × 0.60λ × 0.046λ at a lower resonance frequency of 9.08 GHz. The antenna configuration and parametric investigation are conducted with the help of the high frequency structural simulator, and a good agreement is achieved between the simulated and measured data. The stable gain, omnidirectional radiation pattern, and consistent radiation efficiency in the achieved operating band make the proposed antenna a suitable candidate for X-band applications. PMID:24895656

  10. Density gradient free electron collisionally excited x-ray laser

    DOEpatents

    Campbell, E.M.; Rosen, M.D.

    1984-11-29

    An operational x-ray laser is provided that amplifies 3p-3s transition x-ray radiation along an approximately linear path. The x-ray laser is driven by a high power optical laser. The driving line focused optical laser beam illuminates a free-standing thin foil that may be associated with a substrate for improved structural integrity. This illumination produces a generally cylindrically shaped plasma having an essentially uniform electron density and temperature, that exists over a long period of time, and provides the x-ray laser gain medium. The x-ray laser may be driven by more than one optical laser beam. The x-ray laser has been successfully demonstrated to function in a series of experimental tests.

  11. Magnetic field stabilized electron-hole liquid in indirect-band-gap A l x G a 1 - x As

    DOE PAGES

    Alberi, K.; Fluegel, B.; Crooker, S. A.; ...

    2016-02-29

    An electron-hole liquid (EHL), a condensed liquidlike phase of free electrons and holes in a semiconductor, presents a unique system for exploring quantum many-body phenomena. And while the behavior of EHLs is generally understood, less attention has been devoted to systematically varying the onset of their formation and resulting properties. Here, we report on an experimental approach to tune the conditions of formation and characteristics using a combination of low excitation densities and high magnetic fields up to 90 T. Demonstration of this approach was carried out in indirect-band-gap A l 0.387 G a 0.613 As . EHL droplets canmore » be nucleated from one of two multiexciton complex states depending on the applied excitation density. Furthermore, the excitation density influences the carrier density of the EHL at high magnetic fields, where filling of successive Landau levels can be controlled. The ability to manipulate the formation pathway, temperature, and carrier density of the EHL phase under otherwise fixed experimental conditions makes our approach a powerful tool for studying condensed carrier phases in further detail.« less

  12. Electronic band structure of LaCoO3/Y/Mn compounds

    NASA Astrophysics Data System (ADS)

    Rahnamaye Aliabad, H. A.; Hesam, V.; Ahmad, Iftikhar; Khan, Imad

    2013-02-01

    Spin polarization effects on electronic properties of pure LaCoO3 and doped compounds (La0.5Y0.5CoO3, LaCo0.5Mn0.5O3) in the rhombohedral phase have been studied. We have employed the full potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA+U) under density functional theory (DFT). The calculated band structures along with total as well as partial densities of states reveal that Y and Mn impurities have a significant effect on the structural and electronic properties of LaCoO3. It is found that Mn alters insulating behavior of this compound to the half metallic for spin up state. Obtained results show that the magnetic moment for the Co-3d state is near 3.12μB in LaCoO3 compound which increases and decreases with addition of Y and Mn dopants respectively.

  13. Band gap and electronic structure of MgSiN2

    NASA Astrophysics Data System (ADS)

    Quirk, J. B.; Râsander, M.; McGilvery, C. M.; Palgrave, R.; Moram, M. A.

    2014-09-01

    Density functional theory calculations and electron energy loss spectroscopy indicate that the electronic structure of ordered orthorhombic MgSiN2 is similar to that of wurtzite AlN. A band gap of 5.7 eV was calculated for both MgSiN2 (indirect) and AlN (direct) using the Heyd-Scuseria-Ernzerhof approximation. Correction with respect to the experimental room-temperature band gap of AlN indicates that the true band gap of MgSiN2 is 6.2 eV. MgSiN2 has an additional direct gap of 6.3 eV at the Γ point.

  14. Strain Dependent Electronic Structure and Band Offset Tuning at Heterointerfaces of ASnO3 (A=Ca, Sr, and Ba) and SrTiO3

    PubMed Central

    Baniecki, John D.; Yamazaki, Takashi; Ricinschi, Dan; Van Overmeere, Quentin; Aso, Hiroyuki; Miyata, Yusuke; Yamada, Hiroaki; Fujimura, Norifumi; Maran, Ronald; Anazawa, Toshihisa; Valanoor, Nagarajan; Imanaka, Yoshihiko

    2017-01-01

    The valence band (VB) electronic structure and VB alignments at heterointerfaces of strained epitaxial stannate ASnO3 (A=Ca, Sr, and Ba) thin films are characterized using in situ X-ray and ultraviolet photoelectron spectroscopies, with band gaps evaluated using spectroscopic ellipsometry. Scanning transmission electron microscopy with geometric phase analysis is used to resolve strain at atomic resolution. The VB electronic structure is strain state dependent in a manner that correlated with a directional change in Sn-O bond lengths with strain. However, VB offsets are found not to vary significantly with strain, which resulted in ascribing most of the difference in band alignment, due to a change in the band gaps with strain, to the conduction band edge. Our results reveal significant strain tuning of conduction band offsets using epitaxial buffer layers, with strain-induced offset differences as large as 0.6 eV possible for SrSnO3. Such large conduction band offset tunability through elastic strain control may provide a pathway to minimize the loss of charge confinement in 2-dimensional electron gases and enhance the performance of photoelectrochemical stannate-based devices. PMID:28195149

  15. An electron beam linear scanning mode for industrial limited-angle nano-computed tomography.

    PubMed

    Wang, Chengxiang; Zeng, Li; Yu, Wei; Zhang, Lingli; Guo, Yumeng; Gong, Changcheng

    2018-01-01

    Nano-computed tomography (nano-CT), which utilizes X-rays to research the inner structure of some small objects and has been widely utilized in biomedical research, electronic technology, geology, material sciences, etc., is a high spatial resolution and non-destructive research technique. A traditional nano-CT scanning model with a very high mechanical precision and stability of object manipulator, which is difficult to reach when the scanned object is continuously rotated, is required for high resolution imaging. To reduce the scanning time and attain a stable and high resolution imaging in industrial non-destructive testing, we study an electron beam linear scanning mode of nano-CT system that can avoid mechanical vibration and object movement caused by the continuously rotated object. Furthermore, to further save the scanning time and study how small the scanning range could be considered with acceptable spatial resolution, an alternating iterative algorithm based on ℓ 0 minimization is utilized to limited-angle nano-CT reconstruction problem with the electron beam linear scanning mode. The experimental results confirm the feasibility of the electron beam linear scanning mode of nano-CT system.

  16. An electron beam linear scanning mode for industrial limited-angle nano-computed tomography

    NASA Astrophysics Data System (ADS)

    Wang, Chengxiang; Zeng, Li; Yu, Wei; Zhang, Lingli; Guo, Yumeng; Gong, Changcheng

    2018-01-01

    Nano-computed tomography (nano-CT), which utilizes X-rays to research the inner structure of some small objects and has been widely utilized in biomedical research, electronic technology, geology, material sciences, etc., is a high spatial resolution and non-destructive research technique. A traditional nano-CT scanning model with a very high mechanical precision and stability of object manipulator, which is difficult to reach when the scanned object is continuously rotated, is required for high resolution imaging. To reduce the scanning time and attain a stable and high resolution imaging in industrial non-destructive testing, we study an electron beam linear scanning mode of nano-CT system that can avoid mechanical vibration and object movement caused by the continuously rotated object. Furthermore, to further save the scanning time and study how small the scanning range could be considered with acceptable spatial resolution, an alternating iterative algorithm based on ℓ0 minimization is utilized to limited-angle nano-CT reconstruction problem with the electron beam linear scanning mode. The experimental results confirm the feasibility of the electron beam linear scanning mode of nano-CT system.

  17. Saturation of side-band instabilities in a free-electron laser

    NASA Astrophysics Data System (ADS)

    Lin, A. T.

    The efficiency of a free electron laser is intrinsically limited because the growth of the ponderomotive force produced by the interaction of the rippled magnetic field and the signal wave will eventually trap the electrons. There are a number of approaches for enhancing the efficiency of a free electron laser (FEL). One approach employs a dc field. Most of the efficiency enhancement calculations use a single-mode approximation which prohibits the side band waves to grow. In the present investigation, a particle simulation procedure is employed to demonstrate that the enhancement process is ultimately terminated by the generation of side band instabilities due to the interaction of the trapped electrons and the signal wave. The side band instability will play an important part in determining the maximum output power which can be obtained from a FEL. It is also shown that a considerable improvement in output power can still be achieved by carefully choosing the strength and the turn-on time of the dc electric field.

  18. Reduced electronic correlation effects in half substituted Ba(Fe1-xCox)2As2

    NASA Astrophysics Data System (ADS)

    Liu, Z.-H.; Yaresko, A. N.; Li, Y.; Evtushinsky, D. V.; Dai, P.-C.; Borisenko, S. V.

    2018-06-01

    We report a comprehensive study of the tridimensional nature and orbital character of the low-energy electronic structure in 50% Cobalt doped Ba(Fe1-xCox)2As2 (d6.5), by using polarization- and photon energy-dependent angle-resolved photoemission spectroscopy. An extra electron-like Fermi surface is observed around the Brillouin zone boundary compared with isoelectronic KyFe2-xSe2 (d6.5). The bands near the Fermi level (EF) are mainly derived from Fe/Co 3d t2g orbitals, revealing visible dispersions along the kz direction. In combination with the local density approximation and the dynamical mean-field theory calculations, we find that the As 4p bands are non-renormalized and the whole 3d band needs to be renormalized by a "single" factor of ˜1.6, indicating moderate electronic correlation effects. The "single" factor description of the correlation strength among the different 3d orbitals is also in sharp contrast to orbital-dependent correlation effects in BaFe2As2. Our findings indicate a remarkable reduction of correlation effects with little difference among 3d orbitals in BaFeCoAs2, due to the increased filling of the electronic 3d shell in the presence of significant Hund's coupling. The results support that the electronic correlation effects and multiple orbital physics play an important role in the superconductivity of the 122 system and in other ferropnictides.

  19. Electron-phonon coupling and thermal transport in the thermoelectric compound Mo 3Sb 7–xTe x

    DOE PAGES

    Bansal, Dipanshu; Li, Chen W.; Said, Ayman H.; ...

    2015-12-07

    Phonon properties of Mo 3Sb 7–xTe x (x = 0, 1.5, 1.7), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution of Te for Sb leads to pronounced changes in the electronic struc- ture, local bonding, phonon density of states (DOS), dispersions, and phonon lifetimes. Alloying with tellurium shifts the Fermi level upward, near the top of the valence band, resulting in a strong suppression of electron-phonon screening, and a large overall stiffening of interatomic force- constants. The suppression in electron-phonon coupling concomitantly increases group velocities and suppresses phononmore » scattering rates, surpassing the effects of alloy-disorder scattering, and re- sulting in a surprising increased lattice thermal conductivity in the alloy. We also identify that the local bonding environment changes non-uniformly around different atoms, leading to variable perturbation strengths for different optical phonon branches. The respective roles of changes in phonon group velocities and phonon lifetimes on the lattice thermal conductivity are quantified. Lastly, our results highlight the importance of the electron-phonon coupling on phonon mean-free-paths in this compound, and also estimates the contributions from boundary scattering, umklapp scattering, and point-defect scattering.« less

  20. Band Anticrossing in Highly Mismatched Compound Semiconductor Alloys

    NASA Technical Reports Server (NTRS)

    Yu, Kin Man; Wu, J.; Walukiewicz, W.; Ager, J. W.; Haller, E. E.; Miotkowski, I.; Ramdas, A.; Su, Ching-Hua; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Compound semiconductor alloys in which metallic anions are partially replaced with more electronegative isoelectronic atoms have recently attracted significant attention. Group IIIN(x)V(1-x), alloys with a small amount of the electronegative N substituting more metallic column V elements has been the most extensively studied class of such Highly Mismatched Alloys (HMAs). We have shown that many of the unusual properties of the IIIN(x),V(1-x) alloys can be well explained by the Band Anticrossing (BAC) model that describes the electronic structure in terms of an interaction between highly localized levels of substitutional N and the extended states of the host semiconductor matrix. Most recently the BAC model has been also used to explain similar modifications of the electronic band structure observed in Te-rich ZnS(x)Te(l-x) and ZnSe(Y)Te(1-y) alloys. To date studies of HMAs have been limited to materials with relatively small concentrations of highly electronegative atoms. Here we report investigations of the electronic structure of ZnSe(y)Te(1-y) alloys in the entire composition range, 0 less than or equal to y less than or equal to 1. The samples used in this study are bulk ZnSe(y)Te(1-y) crystals grown by either a modified Bridgman method or by physical vapor transport. Photomodulated reflection (PR) spectroscopy was used to measure the composition dependence of optical transitions from the valence band edge and from the spin-orbit split off band to the conduction band. The pressure dependence of the band gap was measured using optical absorption in a diamond anvil cell. We find that the energy of the spin-orbit split off valence band edge does not depend on composition and is located at about 3 eV below the conduction band edge of ZnSe. On the Te-rich side the pressure and the composition dependence of the optical transitions are well explained by the BAC model which describes the downward shift of the conduction band edge in terms of the interaction between

  1. Band-gap tuning and optical response of two-dimensional SixC1 -x : A first-principles real-space study of disordered two-dimensional materials

    NASA Astrophysics Data System (ADS)

    Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda; Datta, Sujoy; Johnson, Duane D.; Mookerjee, Abhijit

    2017-08-01

    We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique [Mookerjee, J. Phys. C 6, 1340 (1973), 10.1088/0022-3719/6/8/003] formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen-Baerends corrected exchange potential [Singh, Harbola, Hemanadhan, Mookerjee, and Johnson, Phys. Rev. B 93, 085204 (2016), 10.1103/PhysRevB.93.085204]. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene SixC1 -x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussed in the light of the available experimental and other theoretical data. Our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.

  2. Atmospheric electron x-ray spectrometer

    NASA Technical Reports Server (NTRS)

    Feldman, Jason E. (Inventor); George, Thomas (Inventor); Wilcox, Jaroslava Z. (Inventor)

    2002-01-01

    The present invention comprises an apparatus for performing in-situ elemental analyses of surfaces. The invention comprises an atmospheric electron x-ray spectrometer with an electron column which generates, accelerates, and focuses electrons in a column which is isolated from ambient pressure by a:thin, electron transparent membrane. After passing through the membrane, the electrons impinge on the sample in atmosphere to generate characteristic x-rays. An x-ray detector, shaping amplifier, and multi-channel analyzer are used for x-ray detection and signal analysis. By comparing the resultant data to known x-ray spectral signatures, the elemental composition of the surface can be determined.

  3. Synthesis, structural, electronic and linear electro-optical features of new quaternary Ag{sub 2}Ga{sub 2}SiS{sub 6} compound

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Piasecki, M., E-mail: m.piasecki@ajd.czest.pl; Myronchuk, G.L.; Parasyuk, O.V.

    For the first time phase equilibria and phase diagram of the AgGaS{sub 2}–SiS{sub 2} system were successfully explored by differential thermal and X-ray phase analysis methods. Crystal structure of low-temperature (LT) modification of Ag{sub 2}Ga{sub 2}SiS{sub 6} (LРў- Ag{sub 2}Ga{sub 2}SiS{sub 6}) was studied by X-ray powder method and it belongs to tetragonal space group I-42d, with unit cell parameters a=5.7164(4) Å, c=9.8023(7) Å, V=320.32(7) Å{sup 3}. Additional details regarding the crystal structure exploration are available at the web page Fachinformationszentrum Karlsruhe. X-ray photoelectron core-level and valence-band spectra were measured for pristine LРў- Ag{sub 2}Ga{sub 2}SiS{sub 6} crystal surface. Inmore » addition, the X-ray photoelectron valence-band spectrum of LРў-Ag{sub 2}Ga{sub 2}SiS{sub 6} was matched on a common energy scale with the X-ray emission S Kβ{sub 1,3} and Ga Kβ{sub 2} bands, which give information on the energy distribution of the S 3p and Ga 4p states, respectively. The presented X-ray spectroscopy results indicate that the valence S p and Ga p atomic states contribute mainly to the upper and central parts of the valence band of LРў-Ag{sub 2}Ga{sub 2}SiS{sub 6}, respectively, with a less significant contribution also to other valence-band regions. Band gap energy was estimated by measuring the quantum energy in the spectral range of the fundamental absorption. We have found that energy gap Eg is equal to 2.35 eV at 300 K. LT-Ag{sub 2}Ga{sub 2}SiS{sub 6} is a photosensitive material and reveals two spectral maxima on the curve of spectral photoconductivity spectra at λ{sub max1} =590 nm and λ{sub max2} =860 nm. Additionally, linear electro-optical effect of LT-Ag{sub 2}Ga{sub 2}SiS{sub 6} for the wavelengths of a cw He-Ne laser at 1150 nm was explored. - Graphical abstract: Manuscript present the technology of growth and investigation of properties a new quaternary compound Ag{sub 2}Ga{sub 2}Si

  4. Band bending at ferroelectric surfaces and interfaces investigated by x-ray photoelectron spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Apostol, Nicoleta Georgiana, E-mail: nicoleta.apostol@infim.ro

    2014-11-24

    This work reports on the use of X-ray photoelectron spectroscopy to quantify band bending at ferroelectric free surfaces and at their interfaces with metals. Surfaces exhibiting out-of-plane ferroelectric polarization are characterized by a band bending, due to the formation of a dipole layer at the surface, composed by the uncompensated polarization charges (due to ionic displacement) and to the depolarization charge sheet of opposite sign, composed by mobile charge carriers, which migrate near surface, owing to the depolarization electric field. To this surface band bending due to out-of-plane polarization states, metal-semiconductor Schottky barriers must be considered additionally when ferroelectrics aremore » covered by metal layers. It is found that the net band bending is not always an algebraic sum of the two effects discussed above, since sometimes the metal is able to provide additional charge carriers, which are able to fully compensate the surface charge of the ferroelectric, up to the vanishing of the ferroelectric band bending. The two cases which will be discussed in more detail are Au and Cu deposited by molecular beam epitaxy on PbZr{sub 0.2}Ti{sub 0.8}O{sub 3}(001) single crystal thin layers, prepared by pulsed laser deposition. Gold forms unconnected nanoparticles, and their effect on the band bending is the apparition of a Schottky band bending additional to the band bending due to the out-of-plane polarization. Copper, starting with a given thickness, forms continuous metal layers connected to the ground of the system, and provide electrons in sufficient quantity to compensate the band bending due to the out-of-plane polarization.« less

  5. Donor Magneto-Spectroscopy and Magnetic Field - Metal-Insulator Transition in MERCURY(1-X) Cadmium(x)tellurium and Indium Antimonide

    NASA Astrophysics Data System (ADS)

    Choi, Jung Bum

    Far infrared (FIR) magneto-transmission studies of n-type Hg_{1-x}Cd _{x}Te (x = 0.198, 0.204, 0.224, 0.237, 0.270) for temperatures down to 1.5K and magnetic fields up to 9T in Voigt and Faraday geometries have been performed. Magneto-optical transitions of donor bound electrons are observed; including the (000) --> (001) and (010) --> (01k_{z}) in the Voigt geometry, and the (000) --> (110) in the Faraday geometry. These identifications are confirmed by their resonance positions, selection rules, and temperature dependence. The experimental observations are consistent with calculations of resonance positions and lineshapes based on the hydrogenic donor model including central cell effects. This work confirms the donor bound electronic ground state for Hg_{1-x}Cd_{x} Te. The magneto-transport and FIR spectroscopy have been combined to probe the nature of the impurity band in the vicinity of the magnetic field induced metal-insulator transition. The results obtained in Hg_ {1-x}Cd_{x}Te and InSb show the persistance of the (000) --> (110) impurity transition through the metal-insulator critical field. This observation demonstrates the existence of the metallic impurity band which is split off from the conduction band. In the studies of the critical behavior of InSb, the conductivity measured for temperatures down to 0.45K shows a dominant linear dependence on temperature near the transition field. Furthermore, the zero-temperature extrapolated conductivity was found to drop continuously to zero at the transition field with a critical exponent of nu = 1.07 +/- 0.07.

  6. Simultaneous S- and X-band uplink-downlink performance at DSS 13

    NASA Technical Reports Server (NTRS)

    Freiley, A. J.

    1988-01-01

    The Deep Space Station 13 26-meter antenna with the second generation S/X feedcone was tested to determine the dual S- and X-band (2.1 to 2.3 GHz and 7.1 to 8.5 GHz) transmit and receive performance. Measurements were conducted using the 20 kW transmitters at S- and X-band while simultaneously receiving S- and X-band. This system proved to be very quiet compared with the other DSN antennas. Under normal tracking configurations, no noise burst or intermodulation product (IMP) activity was detectable to the -175 dBm level. To prove the instrumentation's ability to detect such phenomena, an IMP generator was introduced onto the system with positive, verifiable results. The IMP occurred at the -162 dBm level, accompanied by moderate noise burst activity, and was readily repeatable. The measurement also showed the possible need for additional fourth channel filtering in the system to reduce the effect of the transmitter power on the low noise amplifiers.

  7. Electronic structure and x-ray magnetic circular dichroism in Mn-doped topological insulators Bi2Se3 and Bi2Te3

    NASA Astrophysics Data System (ADS)

    Antonov, V. N.; Bekenov, L. V.; Uba, S.; Ernst, A.

    2017-12-01

    We studied the structural, electronic, and magnetic properties of Mn-doped topological insulators Bi2Se3 and Bi2Te3 within the density-functional theory (DFT) using the generalized gradient approximation (GGA) in the framework of the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. The x-ray absorption spectra (XAS) and x-ray magnetic circular dichroism at the Mn K and L2 ,3 edges were investigated theoretically from first principles. The calculated results are in good agreement with experimental data. The complex fine structure of the Mn L2 ,3 XAS in Mn-doped Bi2Se3 and Bi2Te3 was found to be not compatible with a pure Mn3 + valency state. Its interpretation demands mixed valent states. The theoretically calculated x-ray emission spectra at the Mn K and L2 ,3 edges are also presented and analyzed.

  8. Monoclinic Tungsten Oxide with {100} Facet Orientation and Tuned Electronic Band Structure for Enhanced Photocatalytic Oxidations.

    PubMed

    Zhang, Ning; Chen, Chen; Mei, Zongwei; Liu, Xiaohe; Qu, Xiaolei; Li, Yunxiang; Li, Siqi; Qi, Weihong; Zhang, Yuanjian; Ye, Jinhua; Roy, Vellaisamy A L; Ma, Renzhi

    2016-04-27

    Exploring surface-exposed highly active crystal facets for photocatalytic oxidations is promising in utilizing monoclinic WO3 semiconductor. However, the previously reported highly active facets for monoclinic WO3 were mainly toward enhancing photocatalytic reductions. Here we report that the WO3 with {100} facet orientation and tuned surface electronic band structure can effectively enhance photocatalytic oxidation properties. The {100} faceted WO3 single crystals are synthesized via a facile hydrothermal method. The UV-visible diffuse reflectance, X-ray photoelectron spectroscopy valence band spectra, and photoelectrochemical measurements suggest that the {100} faceted WO3 has a much higher energy level of valence band maximum compared with the normal WO3 crystals without preferred orientation of the crystal face. The density functional theory calculations reveal that the shift of O 2p and W 5d states in {100} face induce a unique band structure. In comparison with the normal WO3, the {100} faceted WO3 exhibits an O2 evolution rate about 5.1 times in water splitting, and also shows an acetone evolution rate of 4.2 times as well as CO2 evolution rate of 3.8 times in gaseous degradation of 2-propanol. This study demonstrates an efficient crystal face engineering route to tune the surface electronic band structure for enhanced photocatalytic oxidations.

  9. Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Engel, Edgar A., E-mail: eae32@cam.ac.uk; Needs, Richard J.; Monserrat, Bartomeu

    2015-12-28

    Electron-phonon coupling in hexagonal and cubic water ice is studied using first-principles quantum mechanical methods. We consider 29 distinct hexagonal and cubic ice proton-orderings with up to 192 molecules in the simulation cell to account for proton-disorder. We find quantum zero-point vibrational corrections to the minimum electronic band gaps ranging from −1.5 to −1.7 eV, which leads to improved agreement between calculated and experimental band gaps. Anharmonic nuclear vibrations play a negligible role in determining the gaps. Deuterated ice has a smaller band-gap correction at zero-temperature of −1.2 to −1.4 eV. Vibrations reduce the differences between the electronic band gapsmore » of different proton-orderings from around 0.17 eV to less than 0.05 eV, so that the electronic band gaps of hexagonal and cubic ice are almost independent of the proton-ordering when quantum nuclear vibrations are taken into account. The comparatively small reduction in the band gap over the temperature range 0 − 240 K of around 0.1 eV does not depend on the proton ordering, or whether the ice is protiated or deuterated, or hexagonal, or cubic. We explain this in terms of the atomistic origin of the strong electron-phonon coupling in ice.« less

  10. First-principles calculations of the structural, electronic, optical and thermal properties of the BNxAs1-x alloys

    NASA Astrophysics Data System (ADS)

    Hamioud, L.; Boumaza, A.; Touam, S.; Meradji, H.; Ghemid, S.; El Haj Hassan, F.; Khenata, R.; Omran, S. Bin

    2016-06-01

    The present paper aims to study the structural, electronic, optical and thermal properties of the boron nitride (BN) and BAs bulk materials as well as the BNxAs1-x ternary alloys by employing the full-potential-linearised augmented plane wave method within the density functional theory. The structural properties are determined using the Wu-Cohen generalised gradient approximation that is based on the optimisation of the total energy. For band structure calculations, both the Wu-Cohen generalised gradient approximation and the modified Becke-Johnson of the exchange-correlation energy and potential, respectively, are used. We investigated the effect of composition on the lattice constants, bulk modulus and band gap. Deviations of the lattice constants and the bulk modulus from the Vegard's law and the linear concentration dependence, respectively, were observed for the alloys where this result allows us to explain some specific behaviours in the electronic properties of the alloys. For the optical properties, the calculated refractive indices and the optical dielectric constants were found to vary nonlinearly with the N composition. Finally, the thermal effect on some of the macroscopic properties was predicted using the quasi-harmonic Debye model in which the lattice vibrations are taken into account.

  11. Density gradient free electron collisionally excited X-ray laser

    DOEpatents

    Campbell, Edward M.; Rosen, Mordecai D.

    1989-01-01

    An operational X-ray laser (30) is provided that amplifies 3p-3s transition X-ray radiation along an approximately linear path. The X-ray laser (30) is driven by a high power optical laser. The driving line focused optical laser beam (32) illuminates a free-standing thin foil (34) that may be associated with a substrate (36) for improved structural integrity. This illumination produces a generally cylindrically shaped plasma having an essentially uniform electron density and temperature, that exists over a long period of time, and provides the X-ray laser gain medium. The X-ray laser (30) may be driven by more than one optical laser beam (32, 44). The X-ray laser (30) has been successfully demonstrated to function in a series of experimental tests.

  12. Electronic structure of β-Ga2O3 single crystals investigated by hard X-ray photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Li, Guo-Ling; Zhang, Fabi; Cui, Yi-Tao; Oji, Hiroshi; Son, Jin-Young; Guo, Qixin

    2015-07-01

    By combination of hard X-ray photoelectron spectroscopy (HAXPES) and first-principles band structure calculations, the electronic states of β-Ga2O3 were investigated to deepen the understanding of bulk information for this compound. The valence band spectra of HAXPES presented the main contribution from Ga 4sp, which are well represented by photoionization cross section weighted partial density of states. The experimental data complemented with the theoretical study yield a realistic picture of the electronic structure for β-Ga2O3.

  13. Theoretical investigation of the structural, electronic, and thermodynamic properties of CdS1-xSex alloys

    NASA Astrophysics Data System (ADS)

    Long, Debing; Li, Mingkai; Meng, Dongxue; Ahuja, Rajeev; He, Yunbin

    2018-03-01

    In this work, the structural, electronic, and thermodynamic properties of wurtzite (WZ) and zincblende (ZB) CdS1-xSex alloys are investigated using the density functional theory (DFT) and the cluster expansion method. A special quasirandom structure containing 16 atoms is constructed to calculate the band structures of random alloys. The band gaps of CdS1-xSex alloys are direct and decrease as the Se content increases. The delta self-consistent-field method is applied to correct band gaps that are underestimated by DFT. The band offsets clearly reflect the variation in valence band maxima and conduction band minima, thus providing information useful to the design of relevant quantum well structures. The positive formation enthalpies of both phases imply that CdS1-xSex is an immiscible system and tends to phase separate. The influence of lattice vibrations on the phase diagram is investigated by calculating the phonon density of states. Lattice vibration effects can reduce the critical temperature Tc and increase alloy solid solubilities. This influence is especially significant in the ZB structure. When only chemical interactions are present, the Tc values for WZ- and ZB-CdS1-xSex are 260 K and 249 K, respectively. The lattice vibration enthalpy and entropy lower the Tc to 255 K and 233 K, respectively.

  14. Intercomparison of attenuation correction algorithms for single-polarized X-band radars

    NASA Astrophysics Data System (ADS)

    Lengfeld, K.; Berenguer, M.; Sempere Torres, D.

    2018-03-01

    Attenuation due to liquid water is one of the largest uncertainties in radar observations. The effects of attenuation are generally inversely proportional to the wavelength, i.e. observations from X-band radars are more affected by attenuation than those from C- or S-band systems. On the other hand, X-band radars can measure precipitation fields in higher temporal and spatial resolution and are more mobile and easier to install due to smaller antennas. A first algorithm for attenuation correction in single-polarized systems was proposed by Hitschfeld and Bordan (1954) (HB), but it gets unstable in case of small errors (e.g. in the radar calibration) and strong attenuation. Therefore, methods have been developed that restrict attenuation correction to keep the algorithm stable, using e.g. surface echoes (for space-borne radars) and mountain returns (for ground radars) as a final value (FV), or adjustment of the radar constant (C) or the coefficient α. In the absence of mountain returns, measurements from C- or S-band radars can be used to constrain the correction. All these methods are based on the statistical relation between reflectivity and specific attenuation. Another way to correct for attenuation in X-band radar observations is to use additional information from less attenuated radar systems, e.g. the ratio between X-band and C- or S-band radar measurements. Lengfeld et al. (2016) proposed such a method based isotonic regression of the ratio between X- and C-band radar observations along the radar beam. This study presents a comparison of the original HB algorithm and three algorithms based on the statistical relation between reflectivity and specific attenuation as well as two methods implementing additional information of C-band radar measurements. Their performance in two precipitation events (one mainly convective and the other one stratiform) shows that a restriction of the HB is necessary to avoid instabilities. A comparison with vertically pointing

  15. Spin coherence and 14N ESEEM effects of nitrogen-vacancy centers in diamond with X-band pulsed ESR

    NASA Astrophysics Data System (ADS)

    Rose, B. C.; Weis, C. D.; Tyryshkin, A. M.; Schenkel, T.; Lyon, S. A.

    2017-02-01

    Pulsed ESR experiments are reported for ensembles of negatively-charged nitrogen-vacancy centers (NV$^-$) in diamonds at X-band magnetic fields (280-400 mT) and low temperatures (2-70 K). The NV$^-$ centers in synthetic type IIb diamonds (nitrogen impurity concentration $<1$~ppm) are prepared with bulk concentrations of $2\\cdot 10^{13}$ cm$^{-3}$ to $4\\cdot 10^{14}$ cm$^{-3}$ by high-energy electron irradiation and subsequent annealing. We find that a proper post-radiation anneal (1000$^\\circ$C for 60 mins) is critically important to repair the radiation damage and to recover long electron spin coherence times for NV$^-$s. After the annealing, spin coherence times of T$_2 = 0.74$~ms at 5~K are achieved, being only limited by $^{13}$C nuclear spectral diffusion in natural abundance diamonds. At X-band magnetic fields, strong electron spin echo envelope modulation (ESEEM) is observed originating from the central $^{14}$N nucleus. The ESEEM spectral analysis allows for accurate determination of the $^{14}$N nuclear hypefine and quadrupole tensors. In addition, the ESEEM effects from two proximal $^{13}$C sites (second-nearest neighbor and fourth-nearest neighbor) are resolved and the respective $^{13}$C hyperfine coupling constants are extracted.

  16. Systematic study of electronic and magnetic properties for Cu{sub 12–x}TM{sub x}Sb{sub 4}S{sub 13} (TM = Mn, Fe, Co, Ni, and Zn) tetrahedrite

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Suekuni, K., E-mail: ksuekuni@hiroshima-u.ac.jp; Tomizawa, Y.; Ozaki, T.

    2014-04-14

    Substitution effects of 3d transition metal (TM) impurities on electronic and magnetic properties for Cu{sub 12}Sb{sub 4}S{sub 13} tetrahedrite are investigated by the combination of low-temperature experiments and first-principles electronic-structure calculations. The electrical resistivity for the cubic phase of Cu{sub 12}Sb{sub 4}S{sub 13} exhibits metallic behavior due to an electron-deficient character of the compound. Whereas that for 0.5 ≤ x ≤ 2.0 of Cu{sub 12−x}Ni{sub x}Sb{sub 4}S{sub 13} exhibits semiconducting behavior. The substituted Ni for Cu is in the divalent ionic state with a spin magnetic moment and creates impurity bands just above the Fermi level at the top of the valence band. Therefore,more » the semiconducting behavior of the electrical resistivity is attributed to the thermal excitation of electrons from the valence band to the impurity band. The substitution effect of TM on the electronic structure and the valency of TM for Cu{sub 11.0}TM{sub 1.0}Sb{sub 4}S{sub 13} are systematically studied by the calculation. The substituted Mn, Fe, and Co for Cu are found to be in the ionic states with the spin magnetic moments due to the large exchange splitting of the 3d bands between the minority- and majority-spin states.« less

  17. Phase quantification by X-ray photoemission valence band analysis applied to mixed phase TiO2 powders

    NASA Astrophysics Data System (ADS)

    Breeson, Andrew C.; Sankar, Gopinathan; Goh, Gregory K. L.; Palgrave, Robert G.

    2017-11-01

    A method of quantitative phase analysis using valence band X-ray photoelectron spectra is presented and applied to the analysis of TiO2 anatase-rutile mixtures. The valence band spectra of pure TiO2 polymorphs were measured, and these spectral shapes used to fit valence band spectra from mixed phase samples. Given the surface sensitive nature of the technique, this yields a surface phase fraction. Mixed phase samples were prepared from high and low surface area anatase and rutile powders. In the samples studied here, the surface phase fraction of anatase was found to be linearly correlated with photocatalytic activity of the mixed phase samples, even for samples with very different anatase and rutile surface areas. We apply this method to determine the surface phase fraction of P25 powder. This method may be applied to other systems where a surface phase fraction is an important characteristic.

  18. RF emittance in a low energy electron linear accelerator

    NASA Astrophysics Data System (ADS)

    Sanaye Hajari, Sh.; Haghtalab, S.; Shaker, H.; Kelisani, M. Dayyani

    2018-04-01

    Transverse beam dynamics of an 8 MeV low current (10 mA) S-band traveling wave electron linear accelerator has been studied and optimized. The main issue is to limit the beam emittance, mainly induced by the transverse RF forces. The linac is being constructed at Institute for Research in Fundamental Science (IPM), Tehran Iran Labeled as Iran's First Linac, nearly all components of this accelerator are designed and constructed within the country. This paper discusses the RF coupler induced field asymmetry and the corresponding emittance at different focusing levels, introduces a detailed beam dynamics design of a solenoid focusing channel aiming to reduce the emittance growth and studies the solenoid misalignment tolerances. In addition it has been demonstrated that a prebuncher cavity with appropriate parameters can help improving the beam quality in the transverse plane.

  19. Monitoring deformation at the Geysers Geothermal Field, California using C-band and X-band interferometric synthetic aperture radar

    DOE PAGES

    Vasco, D. W.; Rutqvist, Jonny; Ferretti, Alessandro; ...

    2013-06-07

    In this study, we resolve deformation at The Geysers Geothermal Field using two distinct sets of interferometric synthetic aperture radar (InSAR) data. The first set of observations utilize archived European Space Agency C-band synthetic aperture radar data from 1992 through 1999 to image the long-term and large-scale subsidence at The Geysers. The peak range velocity of approximately 50 mm/year agrees with previous estimates from leveling and global positioning system observations. Data from a second set of measurements, acquired by TerraSAR-X satellites, extend from May 2011 until April 2012 and overlap the C-band data spatially but not temporally. These X-band data,more » analyzed using a combined permanent and distributed scatterer algorithm, provide a higher density of scatterers (1122 per square kilometer) than do the C-band data (12 per square kilometer). The TerraSAR-X observations resolve 1 to 2 cm of deformation due to water injection into a Northwest Geysers enhanced geothermal system well, initiated on October 2011. Lastly, the temporal variation of the deformation is compatible with estimates from coupled numerical modeling.« less

  20. The Celestial Reference Frame at X/Ka-band (8.4/32 GHz)

    NASA Technical Reports Server (NTRS)

    Jacobs, C. S.; Clark, J. E.; Heflin, M. B.; Skjerve, L. J.; Sovers, O. J.; Garcia-Miro, C.; Moll, V. E.; Horiuchi, S.

    2011-01-01

    A celestial reference frame at X/Ka-band (8.4/32 GHz) has been constructed using fifty-one 24-hour sessions with the Deep Space Network. We report on observations which have detected 436 sources covering the full 24 hours of right ascension and declinations down to -45 deg. Comparison of this X/Ka-band frame to the S/X-band (2.3/8.4 GHz) ICRF2 shows wRMS agreement of 200 micro-arcsec in a cos delta and 290 micro-arcsec in delta. There is evidence for zonal errors at the 100 micro-arcsec level. Known errors include limited SNR, lack of phase calibration, troposphere mismodelling, and limited southern geometry. The motivations for extending the ICRF to frequencies above 8 GHz are to access more compact source morphology for improved frame stability, to provide calibrators for phase referencing, and to support spacecraft navigation at Ka-band.

  1. Core Levels, Band Alignments, and Valence-Band States in CuSbS2 for Solar Cell Applications.

    PubMed

    Whittles, Thomas J; Veal, Tim D; Savory, Christopher N; Welch, Adam W; de Souza Lucas, Francisco Willian; Gibbon, James T; Birkett, Max; Potter, Richard J; Scanlon, David O; Zakutayev, Andriy; Dhanak, Vinod R

    2017-12-06

    The earth-abundant material CuSbS 2 (CAS) has shown good optical properties as a photovoltaic solar absorber material, but has seen relatively poor solar cell performance. To investigate the reason for this anomaly, the core levels of the constituent elements, surface contaminants, ionization potential, and valence-band spectra are studied by X-ray photoemission spectroscopy. The ionization potential and electron affinity for this material (4.98 and 3.43 eV) are lower than those for other common absorbers, including CuIn x Ga (1-x) Se 2 (CIGS). Experimentally corroborated density functional theory (DFT) calculations show that the valence band maximum is raised by the lone pair electrons from the antimony cations contributing additional states when compared with indium or gallium cations in CIGS. The resulting conduction band misalignment with CdS is a reason for the poor performance of cells incorporating a CAS/CdS heterojunction, supporting the idea that using a cell design analogous to CIGS is unhelpful. These findings underline the critical importance of considering the electronic structure when selecting cell architectures that optimize open-circuit voltages and cell efficiencies.

  2. Two-dimensional wide-band-gap nitride semiconductors: Single-layer 1 T -X N2 (X =S ,Se , and Te )

    NASA Astrophysics Data System (ADS)

    Lin, Jia-He; Zhang, Hong; Cheng, Xin-Lu; Miyamoto, Yoshiyuki

    2016-11-01

    Recently, the two-dimensional (2D) semiconductors arsenene and antimonene, with band gaps larger than 2.0 eV, have attracted tremendous interest, especially for potential applications in optoelectronic devices with a photoresponse in the blue and UV range. Motivated by this exciting discovery, types of highly stable wide-band-gap 2D nitride semiconductors were theoretically designed. We propose single-layer 1 T -X N2 (X =S , Se, and Te) via first-principles simulations. We compute 1 T -X N2 (X =S , Se, and Te) with indirect band gaps of 2.825, 2.351, and 2.336 eV, respectively. By applying biaxial strain, they are able to induce the transition from a wide-band-gap semiconductor to a metal, and the range of absorption spectra of 1 T -X N2 (X =S , Se, and Te) obviously extend from the ultraviolet region to the blue-purple light region. With an underlying graphene, we find that 1 T -X N2 can completely shield the light absorption of graphene in the range of 1-1.6 eV. Our research paves the way for optoelectronic devices working under blue or UV light, and mechanical sensors based on these 2D crystals.

  3. Systematic research on Ag2X (X = O, S, Se, Te) as visible and near-infrared light driven photocatalysts and effects of their electronic structures

    NASA Astrophysics Data System (ADS)

    Jiang, Wei; Wu, Zhaomei; Zhu, Yingming; Tian, Wen; Liang, Bin

    2018-01-01

    Four silver chalcogen compounds, Ag2O, Ag2S, Ag2Se and Ag2Te, can be utilized as visible-light-driven photocatalysts. In this research, the electronic structures of these compounds were analyzed by simulation and experiments to systematically reveal the relationship between photocatalytic performance and energetic structure. All four chalcogenides exhibited interesting photocatalytic activities under ultraviolet, visible and near-infrared light. However, their photocatalytic performances and stability significantly depended on the band gap width, and the valence band and conduct band position, which was determined by their composition. Increasing the X atomic number from O to Te resulted in the upward movement of the valence band top and the conduct band bottom, which resulted in narrower band gaps, a wider absorption spectrum, a weaker photo-oxidization capacity, a higher recombination probability of hole and electron pairs, lower quantum efficiency, and worse stability. Among them, Ag2O has the highest photocatalytic performance and stability due to its widest band gap and lowest position of VB and CB. The combined action of photogenerated holes and different radicals, depending on the different electronic structures, including anion ozone radical, hydroxide radical, and superoxide radical, was observed and understood. The results of experimental observations and simulations of the four silver chalcogen compounds suggested that a proper electronic structure is necessary to obtain a balance between photocatalytic performance and absorbable light region in the development of new photocatalysts.

  4. Electronic structure and optical properties of noncentrosymmetric LiGaSe2: Experimental measurements and DFT band structure calculations

    NASA Astrophysics Data System (ADS)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Ananchenko, L. N.; Isaenko, L. I.; Yelisseyev, A. P.; Khyzhun, O. Y.

    2017-04-01

    We report on measurements of X-ray photoelectron (XP) spectra for pristine and Ar+ ion-irradiated surfaces of LiGaSe2 single crystal grown by Bridgman-Stockbarger method. Electronic structure of the LiGaSe2 compound is studied from a theoretical and experimental viewpoint. In particular, total and partial densities of states of LiGaSe2 are investigated by density functional theory (DFT) calculations employing the augmented plane wave + local orbitals (APW + lo) method and they are verified by data of X-ray spectroscopy measurements. The DFT calculations indicate that the main contributors to the valence band of LiGaSe2 are the Se 4p states, which contribute mainly at the top and in the upper portion of the valence band, with also essential contributions of these states in the lower portion of the band. Other substantial contributions to the valence band of LiGaSe2 emerge from the Ga 4s and Ga 4p states contributing mainly at the lower ant upper portions of the valence band, respectively. With respect to the conduction band, the calculations indicate that its bottom is composed mainly from contributions of the unoccupied Ga s and Se p states. The present calculations are confirmed experimentally when comparing the XP valence-band spectrum of the LiGaS2 single crystal on a common energy scale with the X-ray emission bands representing the energy distribution of the Ga 4p and Se 4p states. Measurements of the fundamental absorption edges at room temperature reveal that bandgap value, Eg, of LiGaSe2 is equal to 3.47 eV and the Eg value increases up to 3.66 eV when decreasing temperature to 80 K. The main optical characteristics of the LiGaSe2 compound are clarified by the DFT calculations.

  5. Multi-band magnetotransport in exfoliated thin films of Cu x Bi2Se3

    NASA Astrophysics Data System (ADS)

    Alexander-Webber, J. A.; Huang, J.; Beilsten-Edmands, J.; Čermák, P.; Drašar, Č.; Nicholas, R. J.; Coldea, A. I.

    2018-04-01

    We report magnetotransport studies in thin (<100 nm) exfoliated films of Cu x Bi2Se3 and we detect an unusual electronic transition at low temperatures. Bulk crystals show weak superconductivity with T_c∼3.5 K and a possible electronic phase transition around 200 K. Following exfoliation, superconductivity is supressed and a strongly temperature dependent multi-band conductivity is observed for T  <  30 K. This transition between competing conducting channels may be enhanced due to the presence of electronic ordering, and could be affected by the presence of an effective internal stress due to Cu intercalation. By fitting to the weak antilocalisation conductivity correction at low magnetic fields we confirm that the low temperature regime maintains a quantum phase coherence length Lφ> 100 nm indicating the presence of topologically protected surface states.

  6. Calculation of the X-Ray emission K and L 2,3 bands of metallic magnesium and aluminum with allowance for multielectron effects

    NASA Astrophysics Data System (ADS)

    Ovcharenko, R. E.; Tupitsyn, I. I.; Savinov, E. P.; Voloshina, E. N.; Dedkov, Yu. S.; Shulakov, A. S.

    2014-01-01

    A procedure is proposed to calculate the shape of the characteristic X-ray emission bands of metals with allowance for multielectron effects. The effects of the dynamic screening of a core vacancy by conduction electrons and the Auger effect in the valence band are taken into account. The dynamic screening of a core vacancy, which is known to be called the MND (Mahan-Nozeieres-De Dominics) effect, is taken into account by an ab initio band calculation of crystals using the PAW (projected augmented waves) method. The Auger effect is taken into account by a semiempirical method using the approximation of a quadratic dependence of the level width in the valence band on the difference between the level energy and the Fermi energy. The proposed calculation procedure is used to describe the X-ray emission K and L 2,3 bands of metallic magnesium and aluminum crystals. The calculated spectra agree well with the experimental bands both near the Fermi level and in the low-energy part of the spectra in all cases.

  7. Band Anticrossing in Highly Mismatched Compound Semiconductor Alloys

    NASA Technical Reports Server (NTRS)

    Yu, Kin Man; Wu, J.; Walukiewicz, W.; Ager, J. W.; Haller, E. E.; Miotkowski, I.; Su, Ching-Hua; Curreri, Peter A. (Technical Monitor)

    2001-01-01

    Compound semiconductor alloys in which metallic anions are partially replaced with more electronegative isoelectronic atoms have recently attracted significant attention. Group IIIN(sub x)V(sub 1-x) alloys with a small amount of the electronegative N substituting more metallic column V elements has been the most extensively studied class of such Highly Mismatched Alloys (HMAs). We have shown that many of the unusual properties of the IIIN(sub x)V(sub 1-x) alloys can be well explained by the Band Anticrossing (BAC) model that describes the electronic structure in terms of an interaction between highly localized levels of substitutional N and the extended states of the host semiconductor matrix. Most recently the BAC model has been also used to explain similar modifications of the electronic band structure observed in Te-rich ZnS(sub x)Te(sub 1-x) and ZnSe(sub y)Te(sub 1-y) alloys. To date studies of HMAs have been limited to materials with relatively small concentrations of highly electronegative atoms. Here we report investigations of the electronic structure of ZnSe(sub y)Te(sub 1-y) alloys in the entire composition range, y between 0 and 1. The samples used in this study are bulk ZnSe(sub y)Te(sub 1-y) crystals grown by either a modified Bridgman method or by physical vapor transport. Photomodulated reflection (PR) spectroscopy was used to measure the composition dependence of optical transitions from the valence band edge and from the spin-orbit split off band to the conduction band. The pressure dependence of the band gap was measured using optical absorption in a diamond anvil cell. We find that the energy of the spin-orbit split off valence band edge does not depend on composition and is located at about 3 eV below the conduction band edge of ZnSe. On the Te-rich side the pressure and the composition dependence of the optical transitions are well explained by the BAC model which describes the downward shift of the conduction band edge in terms of the

  8. Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

    NASA Astrophysics Data System (ADS)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Myronchuk, G. L.; Khvyshchun, M.; Fedorchuk, A. O.; Parasyuk, O. V.; Khyzhun, O. Y.

    2015-04-01

    High-quality single crystal of cesium mercury tetraiodide, Cs2HgI4, has been synthesized by the vertical Bridgman-Stockbarger method and its crystal structure has been refined. In addition, electronic structure and optical properties of Cs2HgI4 have been studied. For the crystal under study, X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces have been measured. The present X-ray photoelectron spectroscopy (XPS) results indicate that the Cs2HgI4 single crystal surface is very sensitive with respect to Ar+ ion-irradiation. In particular, Ar+ bombardment of the single crystal surface alters the elemental stoichiometry of the Cs2HgI4 surface. To elucidate peculiarities of the energy distribution of the electronic states within the valence-band and conduction-band regions of the Cs2HgI4 compound, we have performed first-principles band-structure calculations based on density functional theory (DFT) as incorporated in the WIEN2k package. Total and partial densities of states for Cs2HgI4 have been calculated. The DFT calculations reveal that the I p states make the major contributions in the upper portion of the valence band, while the Hg d, Cs p and I s states are the dominant contributors in its lower portion. Temperature dependence of the light absorption coefficient and specific electrical conductivity has been explored for Cs2HgI4 in the temperature range of 77-300 K. Main optical characteristics of the Cs2HgI4 compound have been elucidated by the first-principles calculations.

  9. Compaction bands in shale revealed through digital volume correlation of time-resolved X-ray tomography scans

    NASA Astrophysics Data System (ADS)

    McBeck, J.; Kobchenko, M.; Hall, S.; Tudisco, E.; Cordonnier, B.; Renard, F.

    2017-12-01

    Previous studies have identified compaction bands primarily within sandstones, and in fewer instances, within other porous rocks and sediments. Using Digital Volume Correlation (DVC) of X-ray microtomography scans, we find evidence of localized zones of high axial contraction that form tabular structures sub-perpendicular to maximum compression, σ1, in Green River shale. To capture in situ strain localization throughout loading, two shale cores were deformed in the HADES triaxial deformation apparatus installed on the X-ray microtomography beamline ID19 at the European Synchrotron Radiation Facility. In these experiments, we increase σ1 in increments of two MPa, with constant confining pressure (20 MPa), until the sample fails in macroscopic shear. After each stress step, a 3D image of the sample inside the rig is acquired at a voxel resolution of 6.5 μm. The evolution of lower density regions within 3D reconstructions of linear attenuation coefficients reveal the development of fractures that fail with some opening. If a fracture produces negligible dilation, it may remain undetected in image segmentation of the reconstructions. We use the DVC software TomoWarp2 to identify undetected fractures and capture the 3D incremental displacement field between each successive pair of microtomography scans acquired in each experiment. The corresponding strain fields reveal localized bands of high axial contraction that host minimal shear strain, and thus match the kinematic definition of compaction bands. The bands develop sub-perpendicular to σ1 in the two samples in which pre-existing bedding laminations were oriented parallel and perpendicular to σ1. As the shales deform plastically toward macroscopic shear failure, the number of bands and axial contraction within the bands increase, while the spacing between the bands decreases. Compaction band development accelerates the rate of overall axial contraction, increasing the mean axial contraction throughout the sample

  10. Effect of chemical pressure on the electronic phase transition in Ca 1-x Sr x Mn 7 O 12 films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huon, A.; Lee, D.; Herklotz, A.

    Here, we demonstrate how chemical pressure affects the structural and electronic phase transitions of the quadruple perovskite CaMn 7O 12 by Sr doping, a compound that exhibits a charge-ordering transition above room temperature making it a candidate for oxide electronics. We also have synthesized Ca 1-xSr xMn 7O 12 (0 ≤ x ≤ 0.6) thin films by oxide molecular beam epitaxy on (LaAlO 3) 0.3(SrAl 0.5Ta 0.5O 3) 0.7 (LSAT) substrates. The substitution of Sr for Ca results in a linear expansion of the lattice, as revealed by X-ray diffraction. Temperature-dependent resistivity and X-ray diffraction measurements are used to demonstratemore » that the coupled charge-ordering and structural phase transitions can be tuned with Sr doping. An increase in Sr concentration acts to decrease the phase transition temperature (T*) from 426 K at x = 0 to 385 K at x = 0.6. Furthemore, the presence of a tunable electronic phase transition, above room temperature, points to the potential applicability of Ca 1-xSr xMn 7O 12 in sensors or oxide electronics, for example, via charge doping.« less

  11. Effect of chemical pressure on the electronic phase transition in Ca 1-x Sr x Mn 7 O 12 films

    DOE PAGES

    Huon, A.; Lee, D.; Herklotz, A.; ...

    2017-09-18

    Here, we demonstrate how chemical pressure affects the structural and electronic phase transitions of the quadruple perovskite CaMn 7O 12 by Sr doping, a compound that exhibits a charge-ordering transition above room temperature making it a candidate for oxide electronics. We also have synthesized Ca 1-xSr xMn 7O 12 (0 ≤ x ≤ 0.6) thin films by oxide molecular beam epitaxy on (LaAlO 3) 0.3(SrAl 0.5Ta 0.5O 3) 0.7 (LSAT) substrates. The substitution of Sr for Ca results in a linear expansion of the lattice, as revealed by X-ray diffraction. Temperature-dependent resistivity and X-ray diffraction measurements are used to demonstratemore » that the coupled charge-ordering and structural phase transitions can be tuned with Sr doping. An increase in Sr concentration acts to decrease the phase transition temperature (T*) from 426 K at x = 0 to 385 K at x = 0.6. Furthemore, the presence of a tunable electronic phase transition, above room temperature, points to the potential applicability of Ca 1-xSr xMn 7O 12 in sensors or oxide electronics, for example, via charge doping.« less

  12. Femtosecond laser-electron x-ray source

    DOEpatents

    Hartemann, Frederic V.; Baldis, Hector A.; Barty, Chris P.; Gibson, David J.; Rupp, Bernhard

    2004-04-20

    A femtosecond laser-electron X-ray source. A high-brightness relativistic electron injector produces an electron beam pulse train. A system accelerates the electron beam pulse train. The femtosecond laser-electron X-ray source includes a high intra-cavity power, mode-locked laser and an x-ray optics system.

  13. Understanding the optical properties of ZnO1-xSx and ZnO1-xSex alloys

    NASA Astrophysics Data System (ADS)

    Baldissera, Gustavo; Persson, Clas

    2016-01-01

    ZnO1-xYx with chalcogen element Y exhibits intriguing optoelectronic properties as the alloying strongly impacts the band-gap energy Eg(x). In this work, we analyze and compare the electronic structures and the dielectric responses of Zn(O,S) and Zn(O,Se) alloys by means of the density functional theory and the partially self-consistent GW approach. We model the crystalline stability from the total energies, and the results indicate that Zn(O,S) is more stable as alloy than Zn(O,Se). We demonstrate also that ion relaxation strongly affects total energies, and that the band-gap bowing depends primarily on local relaxation of the bonds. Moreover, we show that the composition dependent band-gap needs to be analyzed by the band anti-crossing model for small alloying concentration, while the alloying band-bowing model is accurate for strong alloying. We find that the Se-based alloys have a stronger change in the band-gap energy (for instance, ΔEg(0.50) = Eg(ZnO) - Eg(x = 0.50) ≈ 2.2 eV) compared with that of the S-based alloy (ΔEg(0.50) = 1.2 eV), mainly due to a stronger relaxation of the Zn-anion bonds that affects the electronic structure near the band edges. The optical properties of the alloys are discussed in terms of the complex dielectric function ɛ(ω) = ɛ1(ω) + iɛ2(ω) and the absorption coefficient α(ω). While the large band-gap bowing directly impacts the low-energy absorption spectra, the high-frequency dielectric constant ɛ∞ is correlated to the intensity of the dielectric response at energies above 4 eV. Therefore, the dielectric constant is only weakly affected by the non-linear band-gap variation. Despite strong structural relaxation, the high absorption coefficients of the alloys demonstrate that the alloys have well-behaved optoelectronic properties.

  14. Tunable electronic structure in stained two dimensional van der Waals g-C2N/XSe2 (X = Mo, W) heterostructures

    NASA Astrophysics Data System (ADS)

    Zheng, Z. D.; Wang, X. C.; Mi, W. B.

    2017-10-01

    The electronic structure of the strained g-C2N/XSe2 (X=Mo, W) van der Waals heterostructures are investigated by first-principles calculations. The g-C2N/MoSe2 heterostructure is an indirect band gap semiconductor at a strain from 0% to 8%, where its band gap is 0.66, 0.61, 0.73, 0.60 and 0.33 eV. At K point, the spin splitting is 186, 181, 39, 13 and 9 meV, respectively. For g-C2N/WSe2 heterostructures, the band gap is 0.32, 0.37, 0.42, 0.45 and 0.36 eV, and the conduction band minimum is shifted from Г-M region to K-Г region as the strain increases from 0% to 8%. Its spin splitting monotonically decreases as a strain raises to 8%, which is 445, 424, 261, 111 and 96 meV, respectively. Moreover, at a strain less than 4%, the conduction band mainly comes from g-C2N, but it comes from XSe2 (X=Mo, W) above 6%. Our results show that the g-C2N/XSe2 heterostructures have tunable electronic structures, which makes it a potential candidate for novel electronic devices.

  15. Synthesis, structural, electronic and linear electro-optical features of new quaternary Ag2Ga2SiS6 compound

    NASA Astrophysics Data System (ADS)

    Piasecki, M.; Myronchuk, G. L.; Parasyuk, O. V.; Khyzhun, O. Y.; Fedorchuk, A. O.; Pavlyuk, V. V.; Kozer, V. R.; Sachanyuk, V. P.; El-Naggar, A. M.; Albassam, A. A.; Jedryka, J.; Kityk, I. V.

    2017-02-01

    For the first time phase equilibria and phase diagram of the AgGaS2-SiS2 system were successfully explored by differential thermal and X-ray phase analysis methods. Crystal structure of low-temperature (LT) modification of Ag2Ga2SiS6 (LT- Ag2Ga2SiS6) was studied by X-ray powder method and it belongs to tetragonal space group I-42d, with unit cell parameters a=5.7164(4) Å, c=9.8023(7) Å, V=320.32(7) Å3. Additional details regarding the crystal structure exploration are available at the web page Fachinformationszentrum Karlsruhe. X-ray photoelectron core-level and valence-band spectra were measured for pristine LT- Ag2Ga2SiS6 crystal surface. In addition, the X-ray photoelectron valence-band spectrum of LT-Ag2Ga2SiS6 was matched on a common energy scale with the X-ray emission S Kβ1,3 and Ga Kβ2 bands, which give information on the energy distribution of the S 3p and Ga 4p states, respectively. The presented X-ray spectroscopy results indicate that the valence S p and Ga p atomic states contribute mainly to the upper and central parts of the valence band of LT-Ag2Ga2SiS6, respectively, with a less significant contribution also to other valence-band regions. Band gap energy was estimated by measuring the quantum energy in the spectral range of the fundamental absorption. We have found that energy gap Eg is equal to 2.35 eV at 300 K. LT-Ag2Ga2SiS6 is a photosensitive material and reveals two spectral maxima on the curve of spectral photoconductivity spectra at λmax1 =590 nm and λmax2 =860 nm. Additionally, linear electro-optical effect of LT-Ag2Ga2SiS6 for the wavelengths of a cw He-Ne laser at 1150 nm was explored.

  16. Electronic structure and optical properties of CdSxSe1-x solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

    NASA Astrophysics Data System (ADS)

    Murphy, M. W.; Yiu, Y. M.; Ward, M. J.; Liu, L.; Hu, Y.; Zapien, J. A.; Liu, Yingkai; Sham, T. K.

    2014-11-01

    The electronic structure and optical properties of a series of iso-electronic and iso-structural CdSxSe1-x solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

  17. Local Bonding Influence on the Band Edge and Band Gap Formation in Quaternary Chalcopyrites.

    PubMed

    Miglio, Anna; Heinrich, Christophe P; Tremel, Wolfgang; Hautier, Geoffroy; Zeier, Wolfgang G

    2017-09-01

    Quaternary chalcopyrites have shown to exhibit tunable band gaps with changing anion composition. Inspired by these observations, the underlying structural and electronic considerations are investigated using a combination of experimentally obtained structural data, molecular orbital considerations, and density functional theory. Within the solid solution Cu 2 ZnGeS 4- x Se x , the anion bond alteration parameter changes, showing larger bond lengths for metal-selenium than for metal-sulfur bonds. The changing bonding interaction directly influences the valence and conduction band edges, which result from antibonding Cu-anion and Ge-anion interactions, respectively. The knowledge of the underlying bonding interactions at the band edges can help design properties of these quaternary chalcopyrites for photovoltaic and thermoelectric applications.

  18. Preliminary experimental investigation of an X-band Cerenkov-type high power microwave oscillator without guiding magnetic field.

    PubMed

    Guo, Liming; Shu, Ting; Li, Zhiqiang; Ju, Jinchuan; Fang, Xiaoting

    2017-02-01

    Among high power microwave (HPM) generators without guiding magnetic field, Cerenkov-type oscillator is expected to achieve a relatively high efficiency, which has already been realized in X-band in our previous simulation work. This paper presents the preliminary experimental investigations into an X-band Cerenkov-type HPM oscillator without guiding magnetic field. Based on the previous simulation structure, some modifications regarding diode structure were made. Different cathode structures and materials were tested in the experiments. By using a ring-shaped graphite cathode, microwave of about one hundred megawatt level was generated with a pure center frequency of 9.14 GHz, and an efficiency of about 1.3%. As analyzed in the paper, some practical issues reduce the efficiency in experiments, such as real features of the electron beam, probable breakdown regions on the cathode surface which can damage the diode, and so forth.

  19. Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3NH 3) 2CdX 4 (X = Cl, Br, I)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Roccanova, Rachel; Ming, Wenmei; Whiteside, Vincent R.

    Here, we report the synthesis, crystal and electronic structures, as well as optical properties of the hybrid organic–inorganic compounds MA 2CdX 4 (MA = CH 3NH 3; X = Cl, Br, I). MA 2CdI 4 is a new compound, whereas, for MA 2CdCl 4 and MA 2CdBr 4, structural investigations have already been conducted but electronic structures and optical properties are reported here for the first time. Single crystals were grown through slow evaporation of MA 2CdX 4 solutions with optimized conditions yielding mm-sized colorless (X = Cl, Br) and pale yellow (X = I) crystals. Single crystal and variablemore » temperature powder X-ray diffraction measurements suggest that MA 2CdCl 4 forms a 2D layered perovskite structure and has two structural transitions at 283 and 173 K. In contrast, MA 2CdBr 4 and MA 2CdI 4 adopt 0D K 2SO 4-derived crystal structures based on isolated CdX 4 tetrahedra and show no phase transitions down to 20 K. The contrasting crystal structures and chemical compositions in the MA 2CdX 4 family impact their air stabilities, investigated for the first time in this work; MA 2CdCl 4 is air-stable, whereas MA 2CdBr 4 and MA 2CdI 4 partially decompose when left in air. Optical absorption measurements suggest that MA 2CdX 4 have large optical band gaps above 3.9 eV. Room temperature photoluminescence spectra of MA 2CdX 4 yield broad peaks in the 375–955 nm range with full width at half-maximum values up to 208 nm. These PL peaks are tentatively assigned to self-trapped excitons in MA 2CdX 4 following the crystal and electronic structure considerations. The bands around the Fermi level have small dispersions, which is indicative of high charge localization with significant exciton binding energies in MA 2CdX 4. On the basis of our combined experimental and computational results, MA 2CdX 4 and related compounds may be of interest for white-light-emitting phosphors and scintillator applications.« less

  20. Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3NH 3) 2CdX 4 (X = Cl, Br, I)

    DOE PAGES

    Roccanova, Rachel; Ming, Wenmei; Whiteside, Vincent R.; ...

    2017-11-02

    Here, we report the synthesis, crystal and electronic structures, as well as optical properties of the hybrid organic–inorganic compounds MA 2CdX 4 (MA = CH 3NH 3; X = Cl, Br, I). MA 2CdI 4 is a new compound, whereas, for MA 2CdCl 4 and MA 2CdBr 4, structural investigations have already been conducted but electronic structures and optical properties are reported here for the first time. Single crystals were grown through slow evaporation of MA 2CdX 4 solutions with optimized conditions yielding mm-sized colorless (X = Cl, Br) and pale yellow (X = I) crystals. Single crystal and variablemore » temperature powder X-ray diffraction measurements suggest that MA 2CdCl 4 forms a 2D layered perovskite structure and has two structural transitions at 283 and 173 K. In contrast, MA 2CdBr 4 and MA 2CdI 4 adopt 0D K 2SO 4-derived crystal structures based on isolated CdX 4 tetrahedra and show no phase transitions down to 20 K. The contrasting crystal structures and chemical compositions in the MA 2CdX 4 family impact their air stabilities, investigated for the first time in this work; MA 2CdCl 4 is air-stable, whereas MA 2CdBr 4 and MA 2CdI 4 partially decompose when left in air. Optical absorption measurements suggest that MA 2CdX 4 have large optical band gaps above 3.9 eV. Room temperature photoluminescence spectra of MA 2CdX 4 yield broad peaks in the 375–955 nm range with full width at half-maximum values up to 208 nm. These PL peaks are tentatively assigned to self-trapped excitons in MA 2CdX 4 following the crystal and electronic structure considerations. The bands around the Fermi level have small dispersions, which is indicative of high charge localization with significant exciton binding energies in MA 2CdX 4. On the basis of our combined experimental and computational results, MA 2CdX 4 and related compounds may be of interest for white-light-emitting phosphors and scintillator applications.« less

  1. Simultaneous Observations of Lower Band Chorus Emissions at the Equator and Microburst Precipitating Electrons in the Ionosphere

    NASA Astrophysics Data System (ADS)

    Mozer, F. S.; Agapitov, O. V.; Blake, J. B.; Vasko, I. Y.

    2018-01-01

    On 11 December 2016 at 00:12:30 UT, Van Allen Probe-B, at the equator and near midnight, and AC6-B, in the ionosphere, were on magnetic field lines whose 100 km altitude foot points were separated by 600 km. Van Allen Probe-B observed a 30 s burst of lower band chorus waves (with maximum amplitudes >1 nT) at the same time that AC6-B observed intense microburst electrons in the loss cone. One second averaged variations of the chorus intensity and the microburst electron flux were well correlated. The low-altitude electron flux expected from quasi-linear diffusion of the equatorial electrons by the equatorial chorus is in excellent agreement with the observed, 1 s averaged, low-altitude electron flux. However, the large-amplitude, <0.5 s duration, low-altitude electron pulses require nonlinear processes for their explanation.

  2. Wide-band, time-resolved photoacoustic study of electron-transfer reactions. Photoexcited magnesium porphyrin and quinones

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Feitelson, J.; Mauzerall, D.C.

    1993-08-12

    Wide-band, time-resolved, pulsed photoacoustics has been employed to study the electron-transfer reaction between a triplet magnesium porphyrin and various quinones in polar and nonpolar solvents. The reaction rate constants are near encounter limited. The yield of triplet state is 70% in both solvents. The yield of ions is 85% in the former and zero in the latter, in agreement with spin dephasing time and escape times from the Coulomb wells in the two solvents. In methanol the plot of measured heat output versus quinone redox potential is linear. This implies that the entropy of electron transfer is constant through themore » series, but it may not be negligible. 16 refs., 2 figs., 1 tab.« less

  3. Band warping, band non-parabolicity, and Dirac points in electronic and lattice structures

    NASA Astrophysics Data System (ADS)

    Resca, Lorenzo; Mecholsky, Nicholas A.; Pegg, Ian L.

    2017-10-01

    We illustrate at a fundamental level the physical and mathematical origins of band warping and band non-parabolicity in electronic and vibrational structures. We point out a robust presence of pairs of topologically induced Dirac points in a primitive-rectangular lattice using a p-type tight-binding approximation. We analyze two-dimensional primitive-rectangular and square Bravais lattices with implications that are expected to generalize to more complex structures. Band warping is shown to arise at the onset of a singular transition to a crystal lattice with a larger symmetry group, which allows the possibility of irreducible representations of higher dimensions, hence band degeneracy, at special symmetry points in reciprocal space. Band warping is incompatible with a multi-dimensional Taylor series expansion, whereas band non-parabolicities are associated with multi-dimensional Taylor series expansions to all orders. Still band non-parabolicities may merge into band warping at the onset of a larger symmetry group. Remarkably, while still maintaining a clear connection with that merging, band non-parabolicities may produce pairs of conical intersections at relatively low-symmetry points. Apparently, such conical intersections are robustly maintained by global topology requirements, rather than any local symmetry protection. For two p-type tight-binding bands, we find such pairs of conical intersections drifting along the edges of restricted Brillouin zones of primitive-rectangular Bravais lattices as lattice constants vary relatively to each other, until these conical intersections merge into degenerate warped bands at high-symmetry points at the onset of a square lattice. The conical intersections that we found appear to have similar topological characteristics as Dirac points extensively studied in graphene and other topological insulators, even though our conical intersections have none of the symmetry complexity and protection afforded by the latter more

  4. Electronic Structure and Band Alignment at the NiO and SrTiO3 p-n Heterojunctions.

    PubMed

    Zhang, Kelvin H L; Wu, Rui; Tang, Fengzai; Li, Weiwei; Oropeza, Freddy E; Qiao, Liang; Lazarov, Vlado K; Du, Yingge; Payne, David J; MacManus-Driscoll, Judith L; Blamire, Mark G

    2017-08-09

    Understanding the energetics at the interface, including the alignment of valence and conduction bands, built-in potentials, and ionic and electronic reconstructions, is an important challenge in designing oxide interfaces that have controllable multifunctionalities for novel (opto-)electronic devices. In this work, we report detailed investigations on the heterointerface of wide-band-gap p-type NiO and n-type SrTiO 3 (STO). We show that despite a large lattice mismatch (∼7%) and dissimilar crystal structure, high-quality NiO and Li-doped NiO (LNO) thin films can be epitaxially grown on STO(001) substrates through a domain-matching epitaxy mechanism. X-ray photoelectron spectroscopy studies indicate that NiO/STO heterojunctions form a type II "staggered" band alignment. In addition, a large built-in potential of up to 0.97 eV was observed at the interface of LNO and Nb-doped STO (NbSTO). The LNO/NbSTO p-n heterojunctions exhibit not only a large rectification ratio of 2 × 10 3 but also a large ideality factor of 4.3. The NiO/STO p-n heterojunctions have important implications for applications in photocatalysis and photodetectors as the interface provides favorable energetics for facile separation and transport of photogenerated electrons and holes.

  5. Electronic structure and magnetic properties of quaternary Heusler alloy Co2CrGa1-xGex (x=0-1)

    NASA Astrophysics Data System (ADS)

    Seema, K.; Kumar, Ranjan

    2015-03-01

    The electronic structure of Co-based quaternary Heusler compounds Co2CrGa1-xGex (x=0.00, 0.25, 0.50, 0.75, 1.00) are calculated by first-principles density functional theory. The substitution of Ga by Ge leads to increase in the number of valence electrons. With increasing concentration of Ge, lattice constant decreases linearly whereas bulk modulus and total magnetic moment increases. This shows that the magnetic properties of the compound are dependent on electron concentration of main group element. The calculations show that the alloys with x=0.00, 0.25, 0.50 are not true half-metallic materials whereas alloy with x=0.75, 1.00 exhibit 100% spin polarization at the Fermi level. It shows that the Fermi level can be shifted within the energy-gap to achieve 100% spin polarization. The effect of volumetric and tetragonal strain on magnetic properties is also studied.

  6. Magnetism and electronic structure of CoFeCrX (X = Si, Ge) Heusler alloys

    NASA Astrophysics Data System (ADS)

    Jin, Y.; Kharel, P.; Lukashev, P.; Valloppilly, S.; Staten, B.; Herran, J.; Tutic, I.; Mitrakumar, M.; Bhusal, B.; O'Connell, A.; Yang, K.; Huh, Y.; Skomski, R.; Sellmyer, D. J.

    2016-08-01

    The structural, electronic, and magnetic properties of CoFeCrX (X = Si, Ge) Heusler alloys have been investigated. Experimentally, the alloys were synthesized in the cubic L21 structure with small disorder. The cubic phase of CoFeCrSi was found to be highly stable against heat treatment, but CoFeCrGe disintegrated into other new compounds when the temperature reached 402 °C (675 K). Although the first-principle calculation predicted the possibility of tetragonal phase in CoFeCrGe, the tetragonal phase could not be stabilized experimentally. Both CoFeCrSi and CoFeCrGe compounds showed ferrimagnetic spin order at room temperature and have Curie temperatures (TC) significantly above room temperature. The measured TC for CoFeCrSi is 790 K but that of CoFeCrGe could not be measured due to its dissociation into new compounds at 675 K. The saturation magnetizations of CoFeCrSi and CoFeCrGe are 2.82 μB/f.u. and 2.78 μB/f.u., respectively, which are close to the theoretically predicted value of 3 μB/f.u. for their half-metallic phases. The calculated band gaps for CoFeCrSi and CoFeCrGe are, respectively, 1 eV and 0.5 eV. These materials have potential for spintronic device applications, as they exhibit half-metallic electronic structures with large band gaps, and Curie temperatures significantly above room temperature.

  7. Control of Ge1-x-ySixSny layer lattice constant for energy band alignment in Ge1-xSnx/Ge1-x-ySixSny heterostructures

    NASA Astrophysics Data System (ADS)

    Fukuda, Masahiro; Watanabe, Kazuhiro; Sakashita, Mitsuo; Kurosawa, Masashi; Nakatsuka, Osamu; Zaima, Shigeaki

    2017-10-01

    The energy band alignment of Ge1-xSnx/Ge1-x-ySixSny heterostructures was investigated, and control of the valence band offset at the Ge1-xSnx/Ge1-x-ySixSny heterointerface was achieved by controlling the Si and Sn contents in the Ge1-x-ySixSny layer. The valence band offset in the Ge0.902Sn0.098/Ge0.41Si0.50Sn0.09 heterostructure was evaluated to be as high as 330 meV, and its conduction band offset was estimated to be 150 meV by considering the energy bandgap calculated from the theoretical prediction. In addition, the formation of the strain-relaxed Ge1-x-ySixSny layer was examined and the crystalline structure was characterized. The epitaxial growth of a strain-relaxed Ge0.64Si0.21Sn0.15 layer with the degree of strain relaxation of 55% was examined using a virtual Ge substrate. Moreover, enhancement of the strain relaxation was demonstrated by post-deposition annealing, where a degree of strain relaxation of 70% was achieved after annealing at 400 °C. These results indicate the possibility for enhancing the indirect-direct crossover with a strained and high-Sn-content Ge1-xSnx layer on a strain-relaxed Ge1-x-ySixSny layer, realizing preferable carrier confinement by type-I energy band alignment with high conduction and valence band offsets.

  8. Visible-light absorption and large band-gap bowing of GaN 1-xSb x from first principles

    DOE PAGES

    Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; ...

    2011-08-01

    Applicability of the Ga(Sb x)N 1-x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sb x)N 1-x alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sb x)N 1-x alloys could be potential candidates for splitting watermore » under visible light irradiation.« less

  9. Application of mid-infrared free-electron laser tuned to amide bands for dissociation of aggregate structure of protein.

    PubMed

    Kawasaki, Takayasu; Yaji, Toyonari; Ohta, Toshiaki; Tsukiyama, Koichi

    2016-01-01

    A mid-infrared free-electron laser (FEL) is a linearly polarized, high-peak powered pulse laser with tunable wavelength within the mid-infrared absorption region. It was recently found that pathogenic amyloid fibrils could be partially dissociated to the monomer form by the irradiation of the FEL targeting the amide I band (C=O stretching vibration), amide II band (N-H bending vibration) and amide III band (C-N stretching vibration). In this study, the irradiation effect of the FEL on keratin aggregate was tested as another model to demonstrate an applicability of the FEL for dissociation of protein aggregates. Synchrotron radiation infrared microscopy analysis showed that the α-helix content in the aggregate structure decreased to almost the same level as that in the monomer state after FEL irradiation tuned to 6.06 µm (amide I band). Both irradiations at 6.51 µm (amide II band) and 8.06 µm (amide III band) also decreased the content of the aggregate but to a lesser extent than for the irradiation at the amide I band. On the contrary, the irradiation tuned to 5.6 µm (non-absorbance region) changed little the secondary structure of the aggregate. Scanning-electron microscopy observation at the submicrometer order showed that the angular solid of the aggregate was converted to non-ordered fragments by the irradiation at each amide band, while the aggregate was hardly deformed by the irradiation at 5.6 µm. These results demonstrate that the amide-specific irradiation by the FEL was effective for dissociation of the protein aggregate to the monomer form.

  10. Theoretical investigation of structural, mechanical and electronic properties of GaAs1-xNx alloys under ambient and high pressure

    NASA Astrophysics Data System (ADS)

    Li, Jian; Han, Xiuxun; Dong, Chen; Fan, Changzeng

    2017-12-01

    Using first-principles total energy calculations, we have studied the structural, mechanical and electronic properties of GaAs1-xNx ternary semiconductor alloys with the zinc-blende crystal structure over the whole nitrogen concentration range (with x from 0 to 1) within density functional theory (DFT) framework. To obtain the ideal band gap, we employ the semi-empirical approach called local density approximation plus the multi-orbital mean-field Hubbard model (LDA+U). The calculated results illustrate the varying lattice constants and band gap in GaAs1-xNx alloys as functions of the nitrogen concentration x. According to the pressure dependence of the lattice constants and volume, the higher N concentration alloy exhibits the better anti-compressibility. In addition, an increasing band gap is predicted under 20 GPa pressure for GaAs1-xNx alloys.

  11. Band structure of an electron in a kind of periodic potentials with singularities

    NASA Astrophysics Data System (ADS)

    Hai, Kuo; Yu, Ning; Jia, Jiangping

    2018-06-01

    Noninteracting electrons in some crystals may experience periodic potentials with singularities and the governing Schrödinger equation cannot be defined at the singular points. The band structure of a single electron in such a one-dimensional crystal has been calculated by using an equivalent integral form of the Schrödinger equation. Both the perturbed and exact solutions are constructed respectively for the cases of a general singular weak-periodic system and its an exactly solvable version, Kronig-Penney model. Any one of them leads to a special band structure of the energy-dependent parameter, which results in an effective correction to the previous energy-band structure and gives a new explanation for forming the band structure. The used method and obtained results could be a valuable aid in the study of energy bands in solid-state physics, and the new explanation may trigger investigation to different physical mechanism of electron band structures.

  12. Density functional study for crystalline structures and electronic properties of Si1- x Sn x binary alloys

    NASA Astrophysics Data System (ADS)

    Nagae, Yuki; Kurosawa, Masashi; Shibayama, Shigehisa; Araidai, Masaaki; Sakashita, Mitsuo; Nakatsuka, Osamu; Shiraishi, Kenji; Zaima, Shigeaki

    2016-08-01

    We have carried out density functional theory (DFT) calculation for Si1- x Sn x alloy and investigated the effect of the displacement of Si and Sn atoms with strain relaxation on the lattice constant and E- k dispersion. We calculated the formation probabilities for all atomic configurations of Si1- x Sn x according to the Boltzmann distribution. The average lattice constant and E- k dispersion were weighted by the formation probability of each configuration of Si1- x Sn x . We estimated the displacement of Si and Sn atoms from the initial tetrahedral site in the Si1- x Sn x unit cell considering structural relaxation under hydrostatic pressure, and we found that the breaking of the degenerated electronic levels of the valence band edge could be caused by the breaking of the tetrahedral symmetry. We also calculated the E- k dispersion of the Si1- x Sn x alloy by the DFT+U method and found that a Sn content above 50% would be required for the indirect-direct transition.

  13. Electromagnetic properties of absorber fabric coated with BaFe12O19/MWCNTs/PANi nanocomposite in X and Ku bands frequency

    NASA Astrophysics Data System (ADS)

    Afzali, Arezoo; Mottaghitalab, Vahid; Seyyed Afghahi, Seyyed Salman; Jafarian, Mojtaba; Atassi, Yomen

    2017-11-01

    Current investigation focuses on the electromagnetic properties of nonwoven fabric coated with BaFe12O19 (BHF) /MWCNTs/PANi nanocomposite in X and Ku bands. The BHF/MWCNTs and BHF/MWCNTs/PANi nanocomposites are prepared using the sol gel and in-situ polymerization methods respectively. The absorbent fabric was prepared based on applying a 40 wt% of BHF/MWCNTs/PANi nanocomposite in silicon resin on nonwoven fabric via roller coating technique The X-ray diffraction (XRD), scanning electron microscopy (SEM), vibrating sample magnetometer (VSM) and vector network analysis (VNA) are used to peruse microstructural, magnetic and electromagnetic features of the composite and absorber fabric respectively. The microscopic images of the fabric coated with magnetic nanocomposite shows a homogenous layer of nanoparticles on the fabric surface. The maximum reflection loss of binary nano-composite BHF/MWCNTs was measured about -28.50 dB at 11.72 GHz with 1.7 GHz bandwidth (RL < -10 dB) in X band. Moreover in Ku band, the maximum reflection loss is -29.66 dB at 15.78 GHz with 3.2 GHz bandwidths. Also the ternary nanocomposite BHF/MWCNTs/PANi exhibits a broad band absorber over a wide range of X band with a maximum reflection loss of -36.2 dB at 10.2 GHz with 1.5 GHz bandwidth and in the Ku band has arrived a maximum reflection loss of -37.65 dB at 12.84 GHz with 2.43 GHz bandwidth. This result reflects the synergistic effect of the different components with different loss mechanisms. As it is observed due to the presence of PANi in the structure of nanocomposite, the amount of absorption has increased extraordinarily. The absorber fabric exhibits a maximum reflection loss of -24.2 dB at 11.6 GHz with 4 GHz bandwidth in X band. However, in Ku band, the absorber fabric has had the maximum absorption in 16.88 GHz that is about -24.34 dB with 6 GHz bandwidth. Therefore, results indicate that the fabric samples coated represents appreciable maximum absorption value of more than 99% in

  14. Electronic and atomic structures of Ti{sub 1-x}Al{sub x}N thin films related to their damage behavior

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tuilier, M.-H.; Pac, M.-J.; Girleanu, M.

    2008-04-15

    Ti and Al K-edge x-ray absorption spectroscopy is used to investigate the electronic structure of Ti{sub 1-x}Al{sub x}N thin films deposited by reactive magnetron sputtering. The experimental near edge spectra of TiN and AlN are interpreted in the light of unoccupied density of state band structure calculations. The comparison of the structural parameters derived from x-ray absorption fine structure and x-ray diffraction reveals segregation between Al-rich and Ti-rich domains within the Ti{sub 1-x}Al{sub x}N films. Whereas x-ray diffraction probes only the crystallized domains, the structural information derived from extended x-ray absorption fine structure analysis turns on both crystalline and grainmore » boundaries. The results are discussed by considering the damage behavior of the films depending on the composition.« less

  15. Controlled growth of ZnO/Zn₁-xPbxSe core-shell nanowires and their interfacial electronic energy alignment.

    PubMed

    Chen, Z H; Yeung, S Y; Li, H; Qian, J C; Zhang, W J; Li, Y Y; Bello, I

    2012-05-21

    ZnO/Zn(1-x)Pb(x)Se core-shell nanowires (NWs) have been synthesized by a solution based surface ion transfer method at various temperatures. The energy dispersive spectroscopic (EDS) mapping of single NWs suggests that the Zn, Pb and Se atoms are uniformly distributed in their shell layers. The ternary Zn(1-x)Pb(x)Se layers with tunable bandgaps extend the band-edge of optical absorption from 450 nm to 700 nm contrasting with the binary ZnSe layers. The ultraviolet photoelectron spectroscopic (UPS) analysis reveals a transition from the type I to type II band alignment when the x fraction decreases from 0.66 to the value of 0.36 in the nanoshell layers. This quantitative investigation of electronic energy levels at ZnO and Zn(1-x)Pb(x)Se interfaces indicates that the proper type II band alignment is well suited for photovoltaic energy conversion. The photovoltaic cells comprising a ZnO/Zn(1-x)Pb(x)Se nano-heterojunction with the optimized Pb content are expected to be more efficient than the devices sensitized by binary ZnSe or PbSe.

  16. Beta-manganese dioxide nanorods for sufficient high-temperature electromagnetic interference shielding in X-band

    NASA Astrophysics Data System (ADS)

    Song, Wei-Li; Cao, Mao-Sheng; Hou, Zhi-Ling; Lu, Ming-Ming; Wang, Chan-Yuan; Yuan, Jie; Fan, Li-Zhen

    2014-09-01

    As the development of electronic and communication technology, electromagnetic interference (EMI) shielding and attenuation is an effective strategy to ensure the operation of the electronic devices. Among the materials for high-performance shielding in aerospace industry and related high-temperature working environment, the thermally stable metal oxide semiconductors with narrow band gap are promising candidates. In this work, beta-manganese dioxide ( β-MnO2) nanorods were synthesized by a hydrothermal method. The bulk materials of the β-MnO2 were fabricated to evaluate the EMI shielding performance in the temperature range of 20-500 °C between 8.2 and 12.4 GHz (X-band). To understand the mechanisms of high-temperature EMI shielding, the contribution of reflection and absorption to EMI shielding was discussed based on temperature-dependent electrical properties and complex permittivity. Highly sufficient shielding effectiveness greater than 20 dB was observed over all the investigated range, suggesting β-MnO2 nanorods as promising candidates for high-temperature EMI shielding. The results have also established a platform to develop high-temperature EMI shielding materials based on nanoscale semiconductors.

  17. Novel schemes for the optimization of the SPARC narrow band THz source

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Marchetti, B., E-mail: barbara.marchetti@desy.de; Zagorodnov, I.; Bacci, A.

    2015-07-15

    A pulsed, tunable, narrow band radiation source with frequency in the THz region can be obtained collecting the coherent transition radiation produced by a train of ultra-short electron bunches having picosecond scale inter-distance. In this paper, we review the techniques feasible at the SPARC-LAB test facility to produce and manipulate the requested train of electron bunches and we examine the dynamics of their acceleration and compression. In addition, we show how the performances of the train compression and the radiation intensity and bandwidth can be significantly improved through the insertion of a fourth order harmonic cavity, working in the X-bandmore » and acting as a longitudinal phase space linearizer.« less

  18. Electronic structure study of wide band gap magnetic semiconductor (La0.6Pr0.4)0.65Ca0.35MnO3 nanocrystals in paramagnetic and ferromagnetic phases

    NASA Astrophysics Data System (ADS)

    Dwivedi, G. D.; Joshi, Amish G.; Kumar, Shiv; Chou, H.; Yang, K. S.; Jhong, D. J.; Chan, W. L.; Ghosh, A. K.; Chatterjee, Sandip

    2016-04-01

    X-ray circular magnetic dichroism (XMCD), X-ray photoemission spectroscopy (XPS), and ultraviolet photoemission spectroscopy (UPS) techniques were used to study the electronic structure of nanocrystalline (La0.6Pr0.4)0.65Ca0.35MnO3 near Fermi-level. XMCD results indicate that Mn3+ and Mn4+ spins are aligned parallel to each other at 20 K. The low M-H hysteresis curve measured at 5 K confirms ferromagnetic ordering in the (La0.6Pr0.4)0.65Ca0.35MnO3 system. The low temperature valence band XPS indicates that coupling between Mn3d and O2p is enhanced and the electronic states near Fermi-level have been suppressed below TC. The valence band UPS also confirms the suppression of electronic states near Fermi-level below Curie temperature. UPS near Fermi-edge shows that the electronic states are almost absent below 0.5 eV (at 300 K) and 1 eV (at 115 K). This absence clearly demonstrates the existence of a wide band-gap in the system since, for hole-doped semiconductors, the Fermi-level resides just above the valence band maximum.

  19. An investigation on some of the tumor treatment cases using x-rays and electron beams

    NASA Astrophysics Data System (ADS)

    Ucar, Burcu; Yigitoglu, Ibrahim; Arslan Kabalay, Ipek; Altiparmak, Duygu; Kilicaslan, Sinem

    2015-07-01

    In this work, we discussed some of the applications which X-rays and electron beam used in radiotherapy for tumor treatments. This study has been performed at Radiation Oncology Department, Medicine Faculty in Gaziosmanpasa University by using the VARIAN CLINICA DHX linear accelerator which is operated in the range of 6 MeV - 15 MeV. Processes for the treatments that X-rays used for pancreas, bladder and prostate tumors and the processes that the electron beam used for some of the derm tumors are studied. Effects of X-rays and electron beams to treatments process are examined and the obtained results are presented comparatively.

  20. DSN 70-meter antenna X- and S-band calibration. Part 1: Gain measurements

    NASA Technical Reports Server (NTRS)

    Richter, P. H.; Slobin, S. D.

    1989-01-01

    Aperture efficiency measurements made during 1988 on the three 70-m stations (DSS-14, DSS-43, and DSS-63) at X-band (8420 MHz) and S-band (2295 MHz) have been analyzed and reduced to yield best estimates of antenna gain versus elevation. The analysis has been carried out by fitting the gain data to a theoretical expression based on the Ruze formula. Newly derived flux density and source-size correction factors for the natural radio calibration sources used in the measurements have been used in the reduction of the data. Peak gains measured at the three stations were 74.18 (plus or minus 0.10) dBi at X-band, and 63.34 (plus or minus 0.03) dBi at S-band, with corresponding peak aperture efficiencies of 0.687 (plus or minus 0.015) and 0.762 (plus or minus 0.006), respectively. The values quoted assume no atmosphere is present, and the estimated absolute accuracy of the gain measurements is approximately plus or minus 0.2 dB at X-band and plus or minus 0.1 dB at S-band (1-sigma values).

  1. Color composite C-band and L-band image of Kilauea volcanoe on Hawaii

    NASA Technical Reports Server (NTRS)

    1994-01-01

    This color composite C-band and L-band image of the Kilauea volcano on the Big Island of Hawaii was acuired by the Spaceborne Imaging Radar-C/X-band Synthetic Aperature Radar (SIR-C/X-SAR) flying on the Space Shuttle Endeavour. The city of Hilo can be seen at the top. The image shows the different types of lava flows around the crater Pu'u O'o. Ash deposits which erupted in 1790 from the summit of Kilauea volcano show up as dark in this image, and fine details associated with lava flows which erupted in 1919 and 1974 can be seen to the south of the summit in an area called the Ka'u Desert. Other historic lava flows can also be seen. Highway 11 is the linear feature running from Hilo to the Kilauea volcano. The Jet Propulsion Laboratory alternative photo number is P-43918.

  2. An X-Band SOS Resistive Gate-Insulator-Semiconductor /RIS/ switch

    NASA Astrophysics Data System (ADS)

    Kwok, S. P.

    1980-02-01

    The new X-Band Resistive Gate-Insulator-Semiconductor (RIS) switch has been fabricated on silicon-on-sapphire, and its equivalent circuit model characterized. An RIS SPST switch with 20-dB on/off isolation, 1.2-dB insertion loss, and power handling capacity in excess of 20-W peak has been achieved at X band. The device switching time is on the order of 600 ns, and it requires negligible control holding current in both on and off states. The device is compatible with monolithic integrated-circuit technology and thus is suitable for integration into low-cost monolithic phase shifters or other microwave integrated circuits.

  3. Correlation and phonon effects for the electronic transport and thermoelectric power factors in the metal-band-insulator crossover of perovskite-type titanates.

    PubMed

    Onoda, Masashige; Goto, Ikuo

    2009-10-28

    The structural and electronic properties in the metal-band-insulator crossover of the perovskite-type oxygen deficient system SrTiO(3-δ/2) and the Sr-rare-earth element substituted systems Sr(1-x)Ce(x)TiO(3-δ(n)/2) and Sr(1-x)La(x)TiO(3-δ(n)/2), δ(n) being the nominal value, are explored in order to clarify the transport mechanisms and to determine the thermoelectric power factors, through measurements of the x-ray diffraction, electrical resistivity, thermoelectric power, Hall coefficient and magnetic susceptibility. The metallic transport for SrTiO(3-δ/2) with δ≤0.2 and that for Sr(1-x)Ce(x)TiO(3-δ(n)/2) and Sr(1-x)La(x)TiO(3-δ(n)/2) with x≈0.02 and δ(n) = 0 are explained successfully on the basis of scattering by electron correlations, acoustic phonons with the Debye temperature 4 × 10(2) K and polar optical phonons with the Einstein temperature of the order of 10(3) K. The composition dependences of the carrier concentrations of Sr(1-x)Ce(x)TiO(3-δ(n)/2) and Sr(1-x)La(x)TiO(3-δ(n)/2) with δ(n) = 0 are explained in terms of a one-band model, while those of SrTiO(3-δ/2) with δ>0 are explained in terms of a two-band model, as suggested in part previously. For all of the systems, the effective mass ratio of the transport is about 3 and a thermoelectric power factor is found to have a power of -2/3 in the carrier concentration. The factor over 10(-3)  W m(-1) K(-2) at 300 K is obtained for SrTiO(2.97) with the smallest δ in this work.

  4. Playback system designed for X-Band SAR

    NASA Astrophysics Data System (ADS)

    Yuquan, Liu; Changyong, Dou

    2014-03-01

    SAR(Synthetic Aperture Radar) has extensive application because it is daylight and weather independent. In particular, X-Band SAR strip map, designed by Institute of Remote Sensing and Digital Earth, Chinese Academy of Sciences, provides high ground resolution images, at the same time it has a large spatial coverage and a short acquisition time, so it is promising in multi-applications. When sudden disaster comes, the emergency situation acquires radar signal data and image as soon as possible, in order to take action to reduce loss and save lives in the first time. This paper summarizes a type of X-Band SAR playback processing system designed for disaster response and scientific needs. It describes SAR data workflow includes the payload data transmission and reception process. Playback processing system completes signal analysis on the original data, providing SAR level 0 products and quick image. Gigabit network promises radar signal transmission efficiency from recorder to calculation unit. Multi-thread parallel computing and ping pong operation can ensure computation speed. Through gigabit network, multi-thread parallel computing and ping pong operation, high speed data transmission and processing meet the SAR radar data playback real time requirement.

  5. On angiography with a Thomson laser-electron X-ray generator

    NASA Astrophysics Data System (ADS)

    Vinogradov, A. V.; Vinogradov, S. L.; D'yachkov, N. V.; Polunina, A. V.; Postnov, A. A.

    2017-02-01

    We consider a possibility of application of laser-electron X-ray generators for diagnosing the vessel status of internal organs. It is shown that modern lasers and linear accelerators can be used for the development of angiographic instruments of a new type with an increased spatial and temporal resolution while maintaining or reducing the radiation load on the patient and medical staff. Such improvements in diagnostic and ambient factors cannot be achieved with the use of X-ray tubes. All particular estimates and calculations have been performed for a contrast agent based on iodine compounds.

  6. Multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution as a mechanism to generate intermediate band energy levels

    NASA Astrophysics Data System (ADS)

    Rodríguez-Magdaleno, K. A.; Pérez-Álvarez, R.; Martínez-Orozco, J. C.; Pernas-Salomón, R.

    2017-04-01

    In this work the generation of an intermediate band of energy levels from multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution is reported. Within the effective mass approximation the electronic structure of a GaAs spherical quantum-dot surrounded by one, two and three shells is studied in detail using a numerically stable transfer matrix method. We found that a shells-size distribution characterized by continuously wider GaAs domains is a suitable mechanism to generate the intermediate band whose width is also dependent on the Aluminium concentration x. Our results suggest that this effective mechanism can be used for the design of wider intermediate band than reported in other quantum systems with possible solar cells enhanced performance.

  7. ELECTRON MICROSCOPE AND X-RAY DIFFRACTION STUDIES ON A HOMOLOGOUS SERIES OF SATURATED PHOSPHATIDYLCHOLINES.

    PubMed

    ELBERS, P F; VERVERGAERT, P H

    1965-05-01

    Three homologous saturated phosphatidylcholines were studied by electron microscopy after tricomplex fixation. The results are compared with those obtained by x-ray diffraction analysis of the same and some other homologous compounds, in the dry crystalline state and after tricomplex fixation. By electron microscopy alternating dark and light bands are observed which are likely to correspond to phosphatide double layers. X-Ray diffraction reveals the presence of lamellar structures of regular spacing. The layer spacings obtained by both methods are in good agreement. From the electron micrographs the width of the polar parts of the double layers can be derived directly. The width of the carboxylglycerylphosphorylcholine moiety of the layers is found by extrapolating the x-ray diffraction data to zero chain length of the fatty acids. When from this width the contribution of the carboxylglyceryl part of the molecules is subtracted, again we find good agreement with the electron microscope measurements. An attempt has been made to account for the different layer spacings measured in terms of orientation of the molecules within the double layers.

  8. INVESTIGATION OF NEW CONCEPTS AND LINEAR BEAM TECHNIQUES FOR MICROWAVE POWER GENERATION.

    DTIC Science & Technology

    ARSENIC ALLOYS, MILLIMETER WAVES, CAVITY RESONATORS, ELECTRON GUNS, ELECTRON DENSITY, EPITAXIAL GROWTH, OSCILLATORS, S BAND , X BAND , GERMANIUM...ELECTRIC FIELDS, SCATTERING, BRILLOUIN ZONES, RUBY, ELECTROSTRICTION, IONIZATION, MICROWAVE OSCILLATORS, KLYSTRONS , EXPERIMENTAL DESIGN.

  9. Structural, Electronic and Vibrational Properties of Nax Si 136(0 < x < 24) Clathrates

    NASA Astrophysics Data System (ADS)

    Higgins, Craig; Nenghabi, Emmanuel; Myles, Charles; Biswas, Koushik; Beekman, Matt; Nolas, George

    2011-03-01

    CRAIG HIGGINS, EMMANUEL NENGHA BI† , CHARLES W. MYLES, Texas Tech U.; KOUSHIK BISWAS, Oak Ridge National Lab; MATT BEEKMAN, U. of Oregon; GEORGE S. NOLAS, U. of South Florida - Na x Si 136 is a Type II clathrate with important thermoelectric properties. It's face-centered cubic lattice contains polyhedral ``cages'' of silicon atoms with Na atom ``guests'' in the cages. This material is very interesting because powder X-ray diffraction experiments 1 for differing Na content x have shown that, for increasing x in the range 0 <x < 8, lattice contraction occurs. After all Si 28 cages in the unit cell are filled (x = 8) and x is increased further, causing a filling of the Si20 cages, a contrasting lattice expansion results. Using the local density approximation, we have calculated the x dependences of the structural, electronic and vibrational properties of NaxSi136 . Results are presented for the x dependences of the lattice constant, electronic bands, and vibrational modes. Our results for the x dependence of the lattice constant are in agreement with our X-ray data 1 . † Deceased. 1 M. Beekman, E.N. Nenghabi, K. Biswas, C.W. Myles, M. Baitinger, Y. Grin, G.S. Nolas, Inorg. Chem. 49, 5338--5340 (2010).

  10. Electronic structure of the polymer-cathode interface of an organic electroluminescent device investigated using operando hard x-ray photoelectron spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ikeuchi, J.; Hamamatsu, H.; Miyamoto, T.

    2015-08-28

    The electronic structure of a polymer-cathode interface of an operating organic light-emitting diode (OLED) was directly investigated using hard X-ray photoelectron spectroscopy (HAXPES). The potential distribution profile of the light-emitting copolymer layer as a function of the depth under the Al/Ba cathode layer in the OLED depended on the bias voltage. We found that band bending occurred in the copolymer of 9,9-dioctylfluorene (50%) and N-(4-(2-butyl)-phenyl)diphenylamine (F8-PFB) layer near the cathode at 0 V bias, while a linear potential distribution formed in the F8-PFB when a bias voltage was applied to the OLED. Direct observation of the built-in potential and that bandmore » bending formed in the F8-PFB layer in the operating OLED suggested that charges moved in the F8-PFB layer before electron injection from the cathode.« less

  11. Harmonic lasing in x-ray free electron lasers

    NASA Astrophysics Data System (ADS)

    Schneidmiller, E. A.; Yurkov, M. V.

    2012-08-01

    Harmonic lasing in a free electron laser with a planar undulator (under the condition that the fundamental frequency is suppressed) might be a cheap and efficient way of extension of wavelength ranges of existing and planned x-ray free electron laser (FEL) facilities. Contrary to nonlinear harmonic generation, harmonic lasing can provide much more intense, stable, and narrow-band FEL beam which is easier to handle due to the suppressed fundamental frequency. In this paper we perform a parametrization of the solution of the eigenvalue equation for lasing at odd harmonics, and present an explicit expression for FEL gain length, taking into account all essential effects. We propose and discuss methods for suppression of the fundamental harmonic. We also suggest a combined use of harmonic lasing and lasing at the retuned fundamental wavelength in order to reduce bandwidth and to increase brilliance of x-ray beam at saturation. Considering 3rd harmonic lasing as a practical example, we come to the conclusion that it is much more robust than usually thought, and can be widely used in the existing or planned x-ray FEL (XFEL) facilities. In particular, Linac Coherent Light Source (LCLS) after a minor modification can lase to saturation at the 3rd harmonic up to the photon energy of 25-30 keV providing multigigawatt power level and narrow bandwidth. As for the European XFEL, harmonic lasing would allow one to extend operating range (ultimately up to 100 keV), to reduce FEL bandwidth and to increase brilliance, to enable two-color operation for pump-probe experiments, and to provide more flexible operation at different electron energies. Similar improvements can be realized in other x-ray FEL facilities with gap-tunable undulators like FLASH II, SACLA, LCLS II, etc. Harmonic lasing can be an attractive option for compact x-ray FELs (driven by electron beams with a relatively low energy), allowing the use of the standard undulator technology instead of small-gap in

  12. Electronic band structure study of colossal magnetoresistance in Tl 2Mn 2O 7

    NASA Astrophysics Data System (ADS)

    Seo, D.-K.; Whangbo, M.-H.; Subramanian, M. A.

    1997-02-01

    The electronic structure of Tl 2Mn 2O 7 was examined by performing tight binding band calculations. The overlap between the Mn t 2g- and Tl 6 s-block bands results in a partial filling of the Tl 6 s-block bands. The associated Fermi surface consists of 12 cigar-shape electron pockets with each electron pocket about {1}/{1000} of the first Brillouin zone in size. The Tl 6 s-block bands have orbital contributions from the Mn atoms, and the carrier density is very low. These are important for the occurrence of a colossal magnetoresistance in Tl 2Mn 2O 7.

  13. Conduction- and Valence-Band Energies in Bulk InAs(1-x)Sb(x) and Type II InAs(1-x) Sb(x)/InAs Strained-Layer Superlattices

    DTIC Science & Technology

    2013-03-08

    tions in the studied SLS structures . The fit of the dependence of the valence- band energy of unstrained InAs1!xSbx on the composition x with a... band . STRUCTURES Bulk InAsSb epilayers on metamorphic buffers and InAsSb/InAs strained-layer superlattices (SLS) were grown on GaSb substrates by solid...meV in InAs and Ev = 0 meV in InSb. For InAsSb with 22.5% Sb grown on GaSb , an unstrained valence- band energy of Ev = !457 meV was obtained. For the

  14. Quantifying electronic band interactions in van der Waals materials using angle-resolved reflected-electron spectroscopy.

    PubMed

    Jobst, Johannes; van der Torren, Alexander J H; Krasovskii, Eugene E; Balgley, Jesse; Dean, Cory R; Tromp, Rudolf M; van der Molen, Sense Jan

    2016-11-29

    High electron mobility is one of graphene's key properties, exploited for applications and fundamental research alike. Highest mobility values are found in heterostructures of graphene and hexagonal boron nitride, which consequently are widely used. However, surprisingly little is known about the interaction between the electronic states of these layered systems. Rather pragmatically, it is assumed that these do not couple significantly. Here we study the unoccupied band structure of graphite, boron nitride and their heterostructures using angle-resolved reflected-electron spectroscopy. We demonstrate that graphene and boron nitride bands do not interact over a wide energy range, despite their very similar dispersions. The method we use can be generally applied to study interactions in van der Waals systems, that is, artificial stacks of layered materials. With this we can quantitatively understand the 'chemistry of layers' by which novel materials are created via electronic coupling between the layers they are composed of.

  15. A model for the energy band gap of GaSbxAs1-x and InSbxAs1-x in the whole composition range

    NASA Astrophysics Data System (ADS)

    Zhao, Chuan-Zhen; Ren, He-Yu; Wei, Tong; Wang, Sha-Sha; Wang, Jun

    2018-04-01

    The band gap evolutions of GaSbxAs1-x and InSbxAs1-x in the whole composition range are investigated. It is found that the band gap evolutions of GaSbxAs1-x and InSbxAs1-x are determined by two factors. One is the impurity-host interaction in the As-rich and Sb-rich composition ranges. The other is the intraband coupling within the conduction band and separately within the valence band in the moderate composition range. Based on the band gap evolutions of GaSbxAs1-x and InSbxAs1-x, a model is established. In addition, it is found that the impurity-host interaction is determined by not only the mismatches in size and electronegativity between the introduced atoms in the host material and the anions of the host material, but also the difference in electronegativity between the introduced atoms in the host material and the cations of the host material.

  16. Investigation of structural, electronic, elastic and optical properties of Cd{sub 1-x-y}Zn{sub x}Hg{sub y}Te alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tamer, M., E-mail: mehmet.tamer@zirve.edu.tr

    2016-06-15

    Structural, optical and electronic properties and elastic constants of Cd1{sub -x-y}Zn{sub x} Hg{sub y}Te alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement.

  17. High-Power X-Band Semiconductor RF Switch for Pulse Compression Systems of Future Colliders

    NASA Astrophysics Data System (ADS)

    Tantawi, Sami G.; Tamura, Fumihiko

    2000-04-01

    We describe the potential of semiconductor X-band RF switch arrays as a means of developing high power RF pulse compression systems for future linear colliders. The switch systems described here have two designs. Both designs consist of two 3dB hybrids and active modules. In the first design the module is composed of a cascaded active phase shifter. In the second design the module uses arrays of SPST (Single Pole Single Throw) switches. Each cascaded element of the phase shifter and the SPST switch has similar design. The active element consists of symmetrical three-port tee-junctions and an active waveguide window in the symmetrical arm of the tee-junction. The design methodology of the elements and the architecture of the whole switch system are presented. We describe the scaling law that governs the relation between power handling capability and number of elements. The design of the active waveguide window is presented. The waveguide window is a silicon wafer with an array of four hundred PIN/NIP diodes covering the surface of the window. This waveguide window is located in an over-moded TE01 circular waveguide. The results of high power RF measurements of the active waveguide window are presented. The experiment is performed at power levels of tens of megawatts at X-band.

  18. Science Results from the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR): Progress Report

    NASA Technical Reports Server (NTRS)

    Evans, Diane L. (Editor); Plaut, Jeffrey (Editor)

    1996-01-01

    The Spaceborne Imaging Radar-C/X-band Synthetic Aperture Radar (SIR-C/X-SAR) is the most advanced imaging radar system to fly in Earth orbit. Carried in the cargo bay of the Space Shuttle Endeavour in April and October of 1994, SIR-C/X-SAR simultaneously recorded SAR data at three wavelengths (L-, C-, and X-bands; 23.5, 5.8, and 3.1 cm, respectively). The SIR-C/X-SAR Science Team consists of 53 investigator teams from more than a dozen countries. Science investigations were undertaken in the fields of ecology, hydrology, ecology, and oceanography. This report contains 44 investigator team reports and several additional reports from coinvestigators and other researchers.

  19. Influence of electronic band topology on phonon properties in Dirac materials

    NASA Astrophysics Data System (ADS)

    Garate, Ion; Saha, Kush; Légaré, Katherine

    2015-03-01

    In Dirac materials, the interaction between electrons and long-wavelength phonons has been shown to induce and stabilize topological insulation [1-2]. Here report on a theoretical study of the converse effect, namely the influence of band topology on phonon properties. We calculate how electron-phonon interactions change the bulk phonon dispersion as a function of pressure and temperature, in both trivial and topological phases. We find that (i) topological insulators are more prone to lattice instabilities than trivial insulators, and (ii) Raman and neutron scattering measurements can be used to determine the electronic band topology. Research funded by Canada's NSERC and Québec's RQMP.

  20. A Chemical Understanding of the Band Convergence in Thermoelectric CoSb 3 Skutterudites: Influence of Electron Population, Local Thermal Expansion, and Bonding Interactions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hanus, Riley; Guo, Xingyu; Tang, Yinglu

    2017-01-13

    N-Type skutterudites, such as Yb xCo 4Sb 12, have recently been shown to exhibit high valley degeneracy with possible band convergence, explaining the excellent thermoelectric efficiency of these materials. Using a combined theoretical and experimental approach involving temperature-dependent synchrotron diffraction, molecular orbital diagrams, and computational studies, the chemical nature of critical features in the band structure is highlighted. We identify how n-type doping on the filler site induces structural changes that are observed in both the diffraction data and computational results. Additionally, we show how chemical n-type doping slightly alters the electronic band structure, moving the high-valley degeneracy secondary conductionmore » band closer to the primary conduction band and thus inducing band convergence.« less

  1. The Celestial Reference Frame at X/Ka-band (8.4/32 GHz)

    NASA Technical Reports Server (NTRS)

    Jacobs, C. S.; Clark, J. E.; Heflin, M. B.; Skjerve, L. J.; Sovers, O. J.; Garcia-Miro, C.; Moll, V. E.; Horiuchi, S.

    2010-01-01

    A celestial reference frame at X/Kaband (8.4/32 GHz) has been constructed using fiftyone 24-hour sessions with the Deep Space Network. We report on observations which have detected 436 sources covering the full 24 hours of right ascension and declinations down to -45 deg. Comparison of this X/Ka-band frame to the S/X-band (2.3/8.4 GHz) ICRF2 shows wRMS agreement of 200 micro-arcsec ( mu as) in alpha cos delta and 290 mu as in delta. There is evidence for zonal errors at the 100 mu as level. Known errors include limited SNR, lack of phase calibration, troposphere mismodelling, and limited southern geometry. The motivations for extending the ICRF to frequencies above 8 GHz are to access more compact source morphology for improved frame stability, to provide calibrators for phase referencing, and to support spacecraft navigation at Ka-band.

  2. Development of an S-band cavity Beam Position Monitor for ATF2

    NASA Astrophysics Data System (ADS)

    Heo, A.; Kim, E.-S.; Kim, H.; Son, D.; Honda, Y.; Tauchi, T.

    2013-04-01

    We have developed an S-band cavity Beam Position Monitor (BPM) in order to measure the position of an electron beam in the final focus area at ATF2, which is the test facility for the final focus design for the International Linear Collider (ILC). The lattice of the ILC Beam Delivery System (BDS) has been modified, requiring a larger physical aperture of 40 mm in the final focus area. The beam orbit measurement in this area is now covered with high resolution S-Band cavity BPMs. In this paper we summarize the design of the cavity BPM and the first experimental results. The calibration slopes were measured as 0.87 counts/μm in the x-coordinate direction and 1.16 counts/μm in the y-coordinate direction.

  3. Pressure induced band inversion, electronic and structural phase transitions in InTe: A combined experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Rajaji, V.; Pal, Koushik; Sarma, Saurav Ch.; Joseph, B.; Peter, Sebastian C.; Waghmare, Umesh V.; Narayana, Chandrabhas

    2018-04-01

    We report high-pressure Raman scattering measurements on the tetragonal phase of InTe corroborated with the first-principles density functional theory and synchrotron x-ray diffraction measurements. Anomalous pressure-dependent linewidths of the A1 g and Eg phonon modes provide evidence of an isostructural electronic transition at ˜3.6 GPa . The first-principles theoretical analysis reveals that it is associated with a semiconductor-to-metal transition due to increased density of states near the Fermi level. Further, this pressure induced metallization acts as a precursor for structural phase transition to a face centered cubic phase (F m 3 ¯m ) at ˜6.0 GPa . Interestingly, theoretical results reveal a pressure induced band inversion at the Z and M points of the Brillouin zone corresponding to pressures ˜1.0 and ˜1.4 GPa , respectively. As the parity of bands undergoing inversions is the same, the topology of the electronic state remains unchanged, and hence InTe retains its trivial band topology (Z2=0 ) . The pressure dependent behavior of the A1 g and Eg modes can be understood based on the results from the synchrotron x-ray diffraction, which shows anisotropic compressibility of the lattice in the a and c directions. Our Raman measurements up to ˜19 GPa further confirms the pressure induced structural phase transition from a face-centered to primitive cubic (F m 3 ¯m to P m 3 ¯m ) at P ˜15 GPa .

  4. Note: Cold spectra of the electronic transition A{sup 2}Σ{sup +}-X{sup 2}Π of N{sub 2}O{sup +} radical: High resolution analysis of the bands 000-100, 100-100, and 001-101

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lessa, L. L.; Martins, A. S.; Fellows, C. E., E-mail: fellows@if.uff.br

    2015-10-28

    In this note, three vibrational bands of the electronic transition A{sup 2}Σ{sup +}-X{sup 2}Π of the N{sub 2}O{sup +} radical (000-100, 100-100, and 001-101) were theoretically analysed. Starting from Hamiltonian models proposed for this kind of molecule, their parameters were calculated using a Levenberg-Marquardt fit procedure in order to reduce the root mean square deviation from the experimental transitions below to 0.01 cm{sup −1}. The main objective of this work is to obtain new and reliable values for rotational constant B″ and the spin-orbit interaction parameter A of the analysed vibrational levels of the X{sup 2}Π electronic state of thismore » molecule.« less

  5. Enhancement of pairing interaction and magnetic fluctuations toward a band insulator in an electron-doped Li(x)ZrNCl Superconductor.

    PubMed

    Kasahara, Yuichi; Kishiume, Tsukasa; Takano, Takumi; Kobayashi, Katsuki; Matsuoka, Eiichi; Onodera, Hideya; Kuroki, Kazuhiko; Taguchi, Yasujiro; Iwasa, Yoshihiro

    2009-08-14

    The doping dependence of specific heat and magnetic susceptibility has been investigated for Li(x)ZrNCl superconductors derived from a band insulator. As the carrier concentration is decreased, the anisotropy of superconducting gap changes from highly anisotropic to almost isotropic. It was also found that, upon reducing carrier density, the superconducting coupling strength and the magnetic susceptibility are concomitantly enhanced in parallel with T(c), while the density of states at the Fermi level is kept almost constant. Theoretical calculations taking into account the on-site Coulomb interaction reproduced the experimental results, suggesting a possible pairing mediated by magnetic fluctuations, even in the doped band insulators.

  6. Electron beam transport analysis of W-band sheet beam klystron

    NASA Astrophysics Data System (ADS)

    Wang, Jian-Xun; Barnett, Larry R.; Luhmann, Neville C.; Shin, Young-Min; Humphries, Stanley

    2010-04-01

    The formation and transport of high-current density electron beams are of critical importance for the success of a number of millimeter wave and terahertz vacuum devices. To elucidate design issues and constraints, the electron gun and periodically cusped magnet stack of the original Stanford Linear Accelerator Center designed W-band sheet beam klystron circuit, which exhibited poor beam transmission (≤55%), have been carefully investigated through theoretical and numerical analyses taking advantage of three-dimensional particle tracking solvers. The re-designed transport system is predicted to exhibit 99.76% (cold) and 97.38% (thermal) beam transmission, respectively, under space-charge-limited emission simulations. The optimized design produces the required high aspect ratio (10:1) sheet beam with 3.2 A emission current with highly stable propagation. In the completely redesigned model containing all the circuit elements, more than 99% beam transmission is experimentally observed at the collector located about 160 mm distant from the cathode surface. Results are in agreement of the predictions of two ray-tracing simulators, CST PARTICLE STUDIO and OMNITRAK which also predict the observed poor transmission in the original design. The quantitative analysis presents practical factors in the modeling process to design a magnetic lens structure to stably transport the elliptical beam along the long drift tube.

  7. The Control System for the X-33 Linear Aerospike Engine

    NASA Technical Reports Server (NTRS)

    Jackson, Jerry E.; Espenschied, Erich; Klop, Jeffrey

    1998-01-01

    The linear aerospike engine is being developed for single-stage -to-orbit (SSTO) applications. The primary advantages of a linear aerospike engine over a conventional bell nozzle engine include altitude compensation, which provides enhanced performance, and lower vehicle weight resulting from the integration of the engine into the vehicle structure. A feature of this integration is the ability to provide thrust vector control (TVC) by differential throttling of the engine combustion elements, rather than the more conventional approach of gimballing the entire engine. An analysis of the X-33 flight trajectories has shown that it is necessary to provide +/- 15% roll, pitch and yaw TVC authority with an optional capability of +/- 30% pitch at select times during the mission. The TVC performance requirements for X-33 engine became a major driver in the design of the engine control system. The thrust level of the X-33 engine as well as the amount of TVC are managed by a control system which consists of electronic, instrumentation, propellant valves, electro-mechanical actuators, spark igniters, and harnesses. The engine control system is responsible for the thrust control, mixture ratio control, thrust vector control, engine health monitoring, and communication to the vehicle during all operational modes of the engine (checkout, pre-start, start, main-stage, shutdown and post shutdown). The methodology for thrust vector control, the health monitoring approach which includes failure detection, isolation, and response, and the basic control system design are the topic of this paper. As an additional point of interest a brief description of the X-33 engine system will be included in this paper.

  8. Electronic structure of Mo1-x Re x alloys studied through resonant photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Sundar, Shyam; Banik, Soma; Sharath Chandra, L. S.; Chattopadhyay, M. K.; Ganguli, Tapas; Lodha, G. S.; Pandey, Sudhir K.; Phase, D. M.; Roy, S. B.

    2016-08-01

    We studied the electronic structure of Mo-rich Mo1-x Re x alloys (0≤slant x≤slant 0.4 ) using valence band photoemission spectroscopy in the photon energy range 23-70 eV and density of states calculations. Comparison of the photoemission spectra with the density of states calculations suggests that, with respect to the Fermi level E F, the d states lie mostly in the binding energy range 0 to  -6 eV, whereas s states lie in the binding energy range  -4 to  -10 eV. We observed two resonances in the photoemission spectra of each sample, one at about 35 eV photon energy and the other at about 45 eV photon energy. Our analysis suggests that the resonance at 35 eV photon energy is related to the Mo 4p-5s transition and the resonance at 45 eV photon energy is related to the contribution from both the Mo 4p-4d transition (threshold: 42 eV) and the Re 5p-5d transition (threshold: 46 eV). In the constant initial state plot, the resonance at 35 eV incident photon energy for binding energy features in the range E F (BE  =  0) to  -5 eV becomes progressively less prominent with increasing Re concentration x and vanishes for x  >  0.2. The difference plots obtained by subtracting the valence band photoemission spectrum of Mo from that of Mo1-x Re x alloys, measured at 47 eV photon energy, reveal that the Re d-like states appear near E F when Re is alloyed with Mo. These results indicate that interband s-d interaction, which is weak in Mo, increases with increasing x and influences the nature of the superconductivity in alloys with higher x.

  9. Surface-plasmon enhanced photodetection at communication band based on hot electrons

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Kai; Zhan, Yaohui, E-mail: yhzhan@suda.edu.cn, E-mail: xfli@suda.edu.cn; Wu, Shaolong

    2015-08-14

    Surface plasmons can squeeze light into a deep-subwavelength space and generate abundant hot electrons in the nearby metallic regions, enabling a new paradigm of photoconversion by the way of hot electron collection. Unlike the visible spectral range concerned in previous literatures, we focus on the communication band and design the infrared hot-electron photodetectors with plasmonic metal-insulator-metal configuration by using full-wave finite-element method. Titanium dioxide-silver Schottky interface is employed to boost the low-energy infrared photodetection. The photodetection sensitivity is strongly improved by enhancing the plasmonic excitation from a rationally engineered metallic grating, which enables a strong unidirectional photocurrent. With a five-stepmore » electrical simulation, the optimized device exhibits an unbiased responsivity of ∼0.1 mA/W and an ultra-narrow response band (FWHM = 4.66 meV), which promises to be a candidate as the compact photodetector operating in communication band.« less

  10. Hydrogen-Mediated Electron Doping of Gold Clusters As Revealed by In Situ X-ray and UV-vis Absorption Spectroscopy.

    PubMed

    Ishida, Ryo; Hayashi, Shun; Yamazoe, Seiji; Kato, Kazuo; Tsukuda, Tatsuya

    2017-06-01

    We previously reported that small (∼1.2 nm) gold clusters stabilized by poly(N-vinyl-2-pyrrolidone) (Au:PVP) exhibited a localized surface plasmon resonance (LSPR) band at ∼520 nm in the presence of NaBH 4 . To reveal the mechanism of this phenomenon, the electronic structure of Au:PVP during the reaction with NaBH 4 in air was examined by means of in situ X-ray absorption spectroscopy at Au L 3 -edge and UV-vis spectroscopy. These measurements indicated that the appearance of the LSPR band is not associated with the growth in size but is ascribed to electron doping to the Au sp band by the adsorbed H atoms.

  11. X-band noise temperature effects of rain on DSN antenna feedhorns

    NASA Technical Reports Server (NTRS)

    Slobin, S. D.; Franco, M. M.; Clauss, R. C.

    1982-01-01

    Simulated rain tests were carried out to determine the noise temperature contribution of liquid water adhering to the aperture cover material on both a standard DSN X-band feedhorn and on an S/X-band common aperture feedhorn. It was found that for the particular common aperture feedhorn tested, system noise temperature increases were much greater when the plastic horn cover material was old and weathered than when it was new. The age and condition of the aperture cover material is believed to be a major factor in the amount of degradation experienced by a telecommunications system during rain events.

  12. Proposed suitable electron reflector layer materials for thin-film CuIn1-xGaxSe2 solar cells

    NASA Astrophysics Data System (ADS)

    Sharbati, Samaneh; Gharibshahian, Iman; Orouji, Ali A.

    2018-01-01

    This paper investigates the electrical properties of electron reflector layer to survey materials as an electron reflector (ER) for chalcopyrite CuInGaSe solar cells. The purpose is optimizing the conduction-band and valence-band offsets at ER layer/CIGS junction that can effectively reduce the electron recombination near the back contact. In this work, an initial device model based on an experimental solar cell is established, then the properties of a solar cell with electron reflector layer are physically analyzed. The electron reflector layer numerically applied to baseline model of thin-film CIGS cell fabricated by ZSW (efficiency = 20.3%). The improvement of efficiency is achievable by electron reflector layer materials with Eg > 1.3 eV and -0.3 < Δχ < 0.7, depends on bandgap. Our simulations examine various electron reflector layer materials and conclude the most suitable electron reflector layer for this real CIGS solar cells. ZnSnP2, CdSiAs2, GaAs, CdTe, Cu2ZnSnS4, InP, CuO, Pb10Ag3Sb11S28, CuIn5S8, SnS, PbCuSbS3, Cu3AsS4 as well as CuIn1-xGaxSe (x > 0.5) are efficient electron reflector layer materials, so the potential improvement in efficiency obtained relative gain of 5%.

  13. Performance of a Wideband Cadmium Ferrite Microstrip Patch Antenna in the X-Band Region

    NASA Astrophysics Data System (ADS)

    Bhongale, S. R.; Ingavale, H. R.; Shinde, T. J.; Vasambekar, P. N.

    2018-01-01

    Magnesium-substituted cadmium ferrites with the chemical composition Mg x Cd1- x Fe2O4 ( x = 0, 0.4 and 0.8) were prepared by an oxalate co-precipitation method under microwave sintering technique. The structural properties of ferrites were studied by x-ray diffraction, Fourier transform infrared spectroscopy and field emission scanning electron microscope techniques. The scattering parameters such as reflection coefficient ( S 11) and transmission coefficient ( S 21) at microwave frequencies of palletized ferrites were measured by using a vector network analyzer. The software module 85071E followed by scattering parameters was used to determine the electromagnetic properties of the ferrites. The values determined for electromagnetic parameters such as the real part of permittivity ( ɛ'), permeability ( μ'), dielectric loss tangent (tan δ e) and magnetic loss tangent (tan δ m) of synthesized ferrites were used to design rectangular microstrip patch antennas. The performance of magnesium-substituted Cd ferrites as substrate for microstrip patch antennas was investigated. The antenna parameters such as return loss, bandwidth, voltage standing wave ratio, Smith chart and radiation pattern were studied. It is found that the Cd ferrite has applicability as a substrate for wideband antennas in the X-band region.

  14. Kinks in the σ band of graphene induced by electron-phonon coupling.

    PubMed

    Mazzola, Federico; Wells, Justin W; Yakimova, Rositza; Ulstrup, Søren; Miwa, Jill A; Balog, Richard; Bianchi, Marco; Leandersson, Mats; Adell, Johan; Hofmann, Philip; Balasubramanian, T

    2013-11-22

    Angle-resolved photoemission spectroscopy reveals pronounced kinks in the dispersion of the σ band of graphene. Such kinks are usually caused by the combination of a strong electron-boson interaction and the cutoff in the Fermi-Dirac distribution. They are therefore not expected for the σ band of graphene that has a binding energy of more than ≈3.5 eV. We argue that the observed kinks are indeed caused by the electron-phonon interaction, but the role of the Fermi-Dirac distribution cutoff is assumed by a cutoff in the density of σ states. The existence of the effect suggests a very weak coupling of holes in the σ band not only to the π electrons of graphene but also to the substrate electronic states. This is confirmed by the presence of such kinks for graphene on several different substrates that all show a strong coupling constant of λ≈1.

  15. Comprehensive ab initio calculation and simulation on the low-lying electronic states of TlX (X = F, Cl, Br, I, and At).

    PubMed

    Zou, Wenli; Liu, Wenjian

    2009-03-01

    The low-lying electronic states of TlX (X=F, Cl, Br, I, and At) are investigated using the configuration interaction based complete active space third-order perturbation theory [CASPT3(CI)] with spin-orbit coupling accounted for. The potential energy curves and the corresponding spectroscopic constants are reported. The results are grossly in good agreement with the available experimental data. The absorption spectra are simulated as well to reassign the experimental bands. The present results are also useful for guiding future experimental measurements.

  16. Sleuthing the MSL EDL performance from an X band carrier perspective

    NASA Astrophysics Data System (ADS)

    Oudrhiri, Kamal; Asmar, Sami; Estabrook, Polly; Kahan, Daniel; Mukai, Ryan; Ilott, Peter; Schratz, Brian; Soriano, Melissa; Finley, Susan; Shidner, Jeremy

    During the Entry, Descent, and Landing (EDL) of NASA's Mars Science Laboratory (MSL), or Curiosity, rover to Gale Crater on Mars on August 6, 2012 UTC, the rover transmitted an X-band signal composed of carrier and tone frequencies and a UHF signal modulated with an 8kbps data stream. During EDL, the spacecraft's orientation is determined by its guidance and mechanical subsystems to ensure that the vehicle land safely at its destination. Although orientation to maximize telecom performance is not possible, antennas are especially designed and mounted to provide the best possible line of sight to Earth and to the Mars orbiters supporting MSL's landing. The tones and data transmitted over these links are selected carefully to reflect the most essential parameters of the vehicle's state and the performance of the EDL subsystems for post-EDL reconstruction should no further data transmission from the vehicle be possible. This paper addresses the configuration of the X band receive system used at NASA / JPL's Deep Space Network (DSN) to capture the signal spectrum of MSL's X band carrier and tone signal, examines the MSL vehicle state information obtained from the X band carrier signal only and contrasts the Doppler-derived information against the post-EDL known vehicle state. The paper begins with a description of the MSL EDL sequence of events and discusses the impact of the EDL maneuvers such as guided entry, parachute deploy, and powered descent on the frequency observables expected at the DSN. The range of Doppler dynamics possible is derived from extensive 6 Degrees-Of-Freedom (6 DOF) vehicle state calculations performed by MSL's EDL simulation team. The configuration of the DSN's receive system, using the Radio Science Receivers (RSR) to perform open-loop recording for both for nominal and off-nominal EDL scenarios, is detailed. Expected signal carrier power-to-noise levels during EDL are shown and their impact on signal detection is considered. Particula

  17. Sleuthing the MSL EDL Performance from an X Band Carrier Perspective

    NASA Technical Reports Server (NTRS)

    Oudrhiri, Kamal; Asmar, Sami; Estabrook, Polly; Kahan, Daniel; Mukai, Ryan; Ilott, Peter; Schratz, Brian; Soriano, Melissa; Finley, Susan; Shidner, Jeremy

    2013-01-01

    During the Entry, Descent, and Landing (EDL) of NASA's Mars Science Laboratory (MSL), or Curiosity, rover to Gale Crater on Mars on August 6, 2012 UTC, the rover transmitted an X-band signal composed of carrier and tone frequencies and a UHF signal modulated with an 8kbps data stream. During EDL, the spacecraft's orientation is determined by its guidance and mechanical subsystems to ensure that the vehicle land safely at its destination. Although orientation to maximize telecom performance is not possible, antennas are especially designed and mounted to provide the best possible line of sight to Earth and to the Mars orbiters supporting MSL's landing. The tones and data transmitted over these links are selected carefully to reflect the most essential parameters of the vehicle's state and the performance of the EDL subsystems for post-EDL reconstruction should no further data transmission from the vehicle be possible. This paper addresses the configuration of the X band receive system used at NASA / JPL's Deep Space Network (DSN) to capture the signal spectrum of MSL's X band carrier and tone signal, examines the MSL vehicle state information obtained from the X band carrier signal only and contrasts the Doppler-derived information against the post-EDL known vehicle state. The paper begins with a description of the MSL EDL sequence of events and discusses the impact of the EDL maneuvers such as guided entry, parachute deploy, and powered descent on the frequency observables expected at the DSN. The range of Doppler dynamics possible is derived from extensive 6 Degrees-Of-Freedom (6 DOF) vehicle state calculations performed by MSL's EDL simulation team. The configuration of the DSN's receive system, using the Radio Science Receivers (RSR) to perform open-loop recording for both for nominal and off-nominal EDL scenarios, is detailed. Expected signal carrier power-to-noise levels during EDL are shown and their impact on signal detection is considered. Particular

  18. Performance Models for the Spike Banded Linear System Solver

    DOE PAGES

    Manguoglu, Murat; Saied, Faisal; Sameh, Ahmed; ...

    2011-01-01

    With availability of large-scale parallel platforms comprised of tens-of-thousands of processors and beyond, there is significant impetus for the development of scalable parallel sparse linear system solvers and preconditioners. An integral part of this design process is the development of performance models capable of predicting performance and providing accurate cost models for the solvers and preconditioners. There has been some work in the past on characterizing performance of the iterative solvers themselves. In this paper, we investigate the problem of characterizing performance and scalability of banded preconditioners. Recent work has demonstrated the superior convergence properties and robustness of banded preconditioners,more » compared to state-of-the-art ILU family of preconditioners as well as algebraic multigrid preconditioners. Furthermore, when used in conjunction with efficient banded solvers, banded preconditioners are capable of significantly faster time-to-solution. Our banded solver, the Truncated Spike algorithm is specifically designed for parallel performance and tolerance to deep memory hierarchies. Its regular structure is also highly amenable to accurate performance characterization. Using these characteristics, we derive the following results in this paper: (i) we develop parallel formulations of the Truncated Spike solver, (ii) we develop a highly accurate pseudo-analytical parallel performance model for our solver, (iii) we show excellent predication capabilities of our model – based on which we argue the high scalability of our solver. Our pseudo-analytical performance model is based on analytical performance characterization of each phase of our solver. These analytical models are then parameterized using actual runtime information on target platforms. An important consequence of our performance models is that they reveal underlying performance bottlenecks in both serial and parallel formulations. All of our results are validated

  19. Quantifying electronic band interactions in van der Waals materials using angle-resolved reflected-electron spectroscopy

    PubMed Central

    Jobst, Johannes; van der Torren, Alexander J. H.; Krasovskii, Eugene E.; Balgley, Jesse; Dean, Cory R.; Tromp, Rudolf M.; van der Molen, Sense Jan

    2016-01-01

    High electron mobility is one of graphene's key properties, exploited for applications and fundamental research alike. Highest mobility values are found in heterostructures of graphene and hexagonal boron nitride, which consequently are widely used. However, surprisingly little is known about the interaction between the electronic states of these layered systems. Rather pragmatically, it is assumed that these do not couple significantly. Here we study the unoccupied band structure of graphite, boron nitride and their heterostructures using angle-resolved reflected-electron spectroscopy. We demonstrate that graphene and boron nitride bands do not interact over a wide energy range, despite their very similar dispersions. The method we use can be generally applied to study interactions in van der Waals systems, that is, artificial stacks of layered materials. With this we can quantitatively understand the ‘chemistry of layers' by which novel materials are created via electronic coupling between the layers they are composed of. PMID:27897180

  20. An indirect method of studying band alignments in nBn photodetectors using off-axis electron holography

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shen, Xiao-Meng, E-mail: xiaomeng.shen@asu.edu; Center for Photonics Innovation, Arizona State University, Tempe, Arizona 85287; He, Zhao-Yu

    2015-09-21

    Mid-wave and long-wave infrared nBn photodetectors with absorbers consisting of InAs/InAsSb superlattices and barriers consisting of InAs/AlGaSb(As) superlattices were grown using molecular beam epitaxy. High-resolution X-ray diffraction showing significant differences in Ga composition in the barrier layer, and different dark current behavior at 77 K, suggested the possibility of different types of band alignments between the barrier layer and the absorber for the mid- and long-wave infrared samples. Examination of the barrier layers using off-axis electron holography showed the presence of positive charge with an estimated density of 1.8 × 10{sup 17}/cm{sup 3} in the mid-wave sample as a result of a type-IImore » band alignment, whereas negligible charge was detected in the long-wave sample, consistent with a type-I band alignment.« less

  1. Impact of anion replacement on the optoelectronic and thermoelectric properties of CaMg2X2, X= (N, P, As, Sb, Bi) compounds

    NASA Astrophysics Data System (ADS)

    Khan, Abdul Ahad; Yaseen, M.; Laref, A.; Murtaza, G.

    2018-07-01

    The structural, electronic, optical and thermoelectric properties of ternary CaMg2X2 (X = N, P, As, Sb and Bi) compounds are investigated using all electrons full potential linearized augment plane wave method. By using generalized gradient approximation (GGA), unit cell volumes of the compounds are optimized. For calculations of optical and electronic properties the modified Becke Johnson exchange potential is used along with the GGA. The direct energy band gap decreases by replacing the pnictogen elements, while indirect bandgap also decreases except for CaMg2As2. The optical properties show a prominent variation over the change of anion from N to Bi. There is inverse variation between refractive index and the band gap. The refractive indices of these compounds are high in the visible region and sharply decreased in the ultraviolet region. The thermoelectric properties are also studied using Boltzmann statistics through BoltzTrap code. A positive non-zero value of Seebeck coefficient shows a P-type semiconducting behavior of these compounds. High figure of merits (ZT) and optical conductivity peaks for all compounds reveal that they are good candidates for the thermo-electric and optoelectronics devices.

  2. Aromatic Cluster Sensor of Protein Folding: Near-UV Electronic Circular Dichroism Bands Assigned to Fold Compactness.

    PubMed

    Farkas, Viktor; Jákli, Imre; Tóth, Gábor K; Perczel, András

    2016-09-19

    Both far- and near-UV electronic circular dichroism (ECD) spectra have bands sensitive to thermal unfolding of Trp and Tyr residues containing proteins. Beside spectral changes at 222 nm reporting secondary structural variations (far-UV range), L b bands (near-UV range) are applicable as 3D-fold sensors of protein's core structure. In this study we show that both L b (Tyr) and L b (Trp) ECD bands could be used as sensors of fold compactness. ECD is a relative method and thus requires NMR referencing and cross-validation, also provided here. The ensemble of 204 ECD spectra of Trp-cage miniproteins is analysed as a training set for "calibrating" Trp↔Tyr folded systems of known NMR structure. While in the far-UV ECD spectra changes are linear as a function of the temperature, near-UV ECD data indicate a non-linear and thus, cooperative unfolding mechanism of these proteins. Ensemble of ECD spectra deconvoluted gives both conformational weights and insight to a protein folding↔unfolding mechanism. We found that the L b 293 band is reporting on the 3D-structure compactness. In addition, the pure near-UV ECD spectrum of the unfolded state is described here for the first time. Thus, ECD folding information now validated can be applied with confidence in a large thermal window (5≤T≤85 °C) compared to NMR for studying the unfolding of Trp↔Tyr residue pairs. In conclusion, folding propensities of important proteins (RNA polymerase II, ubiquitin protein ligase, tryptase-inhibitor etc.) can now be analysed with higher confidence. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. First principles examination of electronic structure and optical features of 4H-GaN1-xPx polytype alloys

    NASA Astrophysics Data System (ADS)

    Laref, A.; Hussain, Z.; Laref, S.; Yang, J. T.; Xiong, Y. C.; Luo, S. J.

    2018-04-01

    By using first-principles calculations, we compute the electronic band structures and typical aspects of the optical spectra of hexagonally structured GaN1-xPx alloys. Although a type III-V semiconductor, GaP commonly possesses a zinc-blende structure with an indirect band gap; as such, it may additionally form hexagonal polytypes under specific growth conditions. The electronic structures and optical properties are calculated by combining a non-nitride III-V semiconductor and a nitride III-V semiconductor, as GaP and GaN crystallizing in a 4H polytype, with the N composition ranging between x = 0-1. For all studied materials, the energy gap is found to be direct. The optical properties of the hexagonal materials may illustrate the strong polarization dependence owing to the crystalline anisotropy. This investigation for GaN1-xPx alloys is anticipated to supply paramount information for applications in the visible/ultraviolet spectral regions. At a specific concentration, x, these alloys would be exclusively appealing candidates for solar-cell applications.

  4. Experimental investigation of the Jahn-Teller effect in the ground and excited electronic states of the tropyl radical. Part II. Vibrational analysis of the A 2E"3-X 2E"2 electronic transition.

    PubMed

    Sioutis, Ilias; Stakhursky, Vadim L; Tarczay, György; Miller, Terry A

    2008-02-28

    Laser-induced fluorescence (LIF) and laser-excited dispersed fluorescence (LEDF) spectra of the cycloheptatrienyl (tropyl) radical C7H7 have been observed under supersonic jet-cooling conditions. Assignment of the LIF excitation spectrum yields detailed information about the A-state vibronic structure. The LEDF emission was collected by pumping different vibronic bands of the A 2E"3<--X 2E"2 electronic spectrum. Analysis of the LEDF spectra yields valuable information about the vibronic levels of the X 2E"2 state. The X- and A-state vibronic structures characterize the Jahn-Teller distortion of the respective potential energy surfaces. A thorough analysis reveals observable Jahn-Teller activity in three of the four e'3 modes for the X 2E"2 state and two of the three e'1 modes for the A 2E"3 state and provides values for their deperturbed vibrational frequencies as well as linear Jahn-Teller coupling constants. The molecular parameters characterizing the Jahn-Teller interaction in the X and A states of C7H7 are compared to theoretical results and to those previously obtained for C5H5 and C6H6+.

  5. Band alignment of ZnO/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Xinke, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn; He, Jiazhu; Chen, Le

    2016-08-15

    The energy band alignment between ZnO and multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The ZnO film was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 3.32 eV and a conduction band offset (CBO) of 1.12 eV were obtained for the ZnO/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the ZnO/ML-MoS{sub 2} interface were found to be 3.54 eV and 1.34 eV, respectively. With the CHF{sub 3} plasma treatment, the band alignment of the ZnO/ML-MoS{sub 2} interface hasmore » been changed from type II or staggered band alignment to type III or misaligned one, which favors the electron-hole pair separation. The band alignment difference is believed to be dominated by the down-shift in the core level of Zn 2p or the interface dipoles, which is caused by the interfacial layer rich in F.« less

  6. Fermiology of the strongly spin-orbit coupled superconductor Sn(1-x)In(x)Te: implications for topological superconductivity.

    PubMed

    Sato, T; Tanaka, Y; Nakayama, K; Souma, S; Takahashi, T; Sasaki, S; Ren, Z; Taskin, A A; Segawa, Kouji; Ando, Yoichi

    2013-05-17

    We have performed angle-resolved photoemission spectroscopy on the strongly spin-orbit coupled low-carrier density superconductor Sn(1-x)In(x)Te (x = 0.045) to elucidate the electronic states relevant to the possible occurrence of topological superconductivity, as recently reported for this compound based on point-contact spectroscopy. The obtained energy-band structure reveals a small holelike Fermi surface centered at the L point of the bulk Brillouin zone, together with a signature of a topological surface state, indicating that this material is a doped topological crystalline insulator characterized by band inversion and mirror symmetry. A comparison of the electronic states with a band-noninverted superconductor possessing a similar Fermi surface structure, Pb(1-x)Tl(x)Te, suggests that the anomalous behavior in the superconducting state of Sn(1-x)In(x)Te is related to the peculiar orbital characteristics of the bulk valence band and/or the presence of a topological surface state.

  7. Combined observations of Arctic sea ice with near-coincident colocated X-band, C-band, and L-band SAR satellite remote sensing and helicopter-borne measurements

    NASA Astrophysics Data System (ADS)

    Johansson, A. M.; King, J. A.; Doulgeris, A. P.; Gerland, S.; Singha, S.; Spreen, G.; Busche, T.

    2017-01-01

    In this study, we compare colocated near-coincident X-, C-, and L-band fully polarimetry SAR satellite images with helicopter-borne ice thickness measurements acquired during the Norwegian Young sea ICE 2015 (N-ICE2015) expedition in the region of the Arctic Ocean north of Svalbard in April 2015. The air-borne surveys provide near-coincident snow plus ice thickness, surface roughness data, and photographs. This unique data set allows us to investigate how the different frequencies can complement one another for sea ice studies, but also to raise awareness of limitations. X-band and L-band satellite scenes were shown to be a useful complement to the standard SAR frequency for sea ice monitoring (C-band) for lead ice and newly formed sea ice identification. This may be in part be due to the frequency but also the high spatial resolution of these sensors. We found a relatively low correlation between snow plus ice thickness and surface roughness. Therefore, in our dataset ice thickness cannot directly be observed by SAR which has important implications for operational ice charting based on automatic segmentation.

  8. Electronic instability and change of crystalline phase in compounds of the V3Si type at low temperature

    NASA Technical Reports Server (NTRS)

    Labbe, J.; Friedel, J.

    1978-01-01

    In V3Si, the V atoms form an array of dense linear chains; a tight-binding approximation in one dimension was used to describe the d electrons. The electronic energy calculated by this method was reduced when the lattice is deformed. This lead to a band type of the Jahn Teller effect, which may explain the cubic to tetragonal transition which was observed at low temperatures. The theory can be extended to other superconductors of the V3X type when X=Ga, Ge, Sn, etcetera, or NB3SN.

  9. Deduction of the chemical state and the electronic structure of Nd{sub 2}Fe{sub 14}B compound from X-ray photoelectron spectroscopy core-level and valence-band spectra

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Jing; Liang, Le; Zhang, Lanting, E-mail: lantingzh@sjtu.edu.cn, E-mail: lmsun@sjtu.edu.cn

    2014-10-28

    Characterization of chemical state and electronic structure of the technologically important Nd{sub 2}Fe{sub 14}B compound is attractive for understanding the physical nature of its excellent magnetic properties. X-ray photoelectron spectroscopy (XPS) study of such rare-earth compound is important and also challenging due to the easy oxidation of surface and small photoelectron cross-sections of rare-earth 4f electrons and B 2p electrons, etc. Here, we reported an investigation based on XPS spectra of Nd{sub 2}Fe{sub 14}B compound as a function of Ar ion sputtering time. The chemical state of Fe and that of B in Nd{sub 2}Fe{sub 14}B compound can be clearlymore » determined to be 0 and −3, respectively. The Nd in Nd{sub 2}Fe{sub 14}B compound is found to have the chemical state of close to +3 instead of +3 as compared with the Nd in Nd{sub 2}O{sub 3}. In addition, by comparing the valence-band spectrum of Nd{sub 2}Fe{sub 14}B compound to that of the pure Fe, the contributions from Nd, Fe, and B to the valence-band structure of Nd{sub 2}Fe{sub 14}B compound is made more clear. The B 2p states and B 2s states are identified to be at ∼11.2 eV and ∼24.6 eV, respectively, which is reported for the first time. The contribution from Nd 4f states can be identified both in XPS core-level spectrum and XPS valence-band spectrum. Although Nd 4f states partially hybridize with Fe 3d states, Nd 4f states are mainly localized in Nd{sub 2}Fe{sub 14}B compound.« less

  10. Measurement of electron effective mass ratios in Hg1-xCdxTe for 0.20 <= x <= 0.30 between 77K and 296K

    NASA Astrophysics Data System (ADS)

    Clarke, F. W.; Balevieius, S.; McDonald, J. K.; Grisham, J. A.

    2004-10-01

    Effective mass ratios, m*, of electrons in near intrinsic and n-type Hg1-xCdxTe for 0.20 <= x <= 0.30 over the temperature range 77 K <= T <= 296 K were measured using Faraday rotation spectroscopy. Effective masses were found to be about twice as large at room temperature as band edge effective mass, m*be, calculations. Measured effective masses diverge further from the theoretical formulations as temperature increases which appears to be due to a thermal excitation effect that is not accounted for in theoretical calculations. These calculations can be corrected using a linear correction factor, m**, where the true effective mass ratio, m* = m** m*be, where m** was found empirically to be m** = 4.52 x 10-3 T + 0.78. Carrier concentrations were measured using Hall or van der Pauw tests. Soldered contacts to high mobility materials like HgCdTe using even the purest indium solder inevitably result in contamination that can add significant numbers of impurity carriers to the material and severely decrease mobility. A simple method of burnishing contacts to the material without heat using indium solder is presented. These cold contacts do not effect the material properties and are very effective in n-type HgCdTe making good physically strong contacts that remain ohmic to at least 10 K. This is a review paper.

  11. Structural, electronic, magnetic and optical properties of semiconductor Zn1-xMoxTe compound

    NASA Astrophysics Data System (ADS)

    Feng, Zhong-Ying; Zhang, Jian-Min

    2018-03-01

    The structural, electronic, magnetic and optical properties of the Zn1-xMoxTe (x = 0.00, 0.25, 0.50, 0.75, 1.00) have been investigated by the spin-polarized first-principles calculations. The Zn0.50Mo0.50Te has tetragonal structure while the Zn1-xMoxTe (x = 0.00, 0.25, 0.75, 1.00) crystallize in cubic structures. For Zn1-xMoxTe (x = 0.25, 0.50, 0.75, 1.00) alloys, the lattice constant and the volume are found larger than those of pure ZnTe alloy. The Zn1-xMoxTe (x = 0.25, 0.50, 0.75, 1.00) is magnetic and the Mo element is found dominant in the bands crossing the Fermi level in the spin-up channel. The Zn0.75Mo0.25Te and MoTe have half-metallic (HM) behavior. In spin-down channel of the Zn0.75Mo0.25Te, the Zn atom mainly contributed to the conduction band minimum (CBM), while the valence band maximum (VBM) appears mainly due to contribution of Te element. A positive spin splitting and crystal field splitting of d-states of Mo atom has been observed for Zn0.75Mo0.25Te alloy. The maximum values of the absorption coefficients αMAX(ω) of the Zn0.50Mo0.50Te alloy along a or b axes are smaller than the absorption coefficient along c axis. The first absorption peak appearing in the energy range of 0.000-1.000 eV for Zn1-xMoxTe (x = 0.25, 0.50, 0.75 or 1.00) alloys is the new peak which is not observed in ZnTe.

  12. Core Levels, Band Alignments, and Valence-Band States in CuSbS 2 for Solar Cell Applications

    DOE PAGES

    Whittles, Thomas J.; Veal, Tim D.; Savory, Christopher N.; ...

    2017-11-10

    The earth-abundant material CuSbS 2 (CAS) has shown good optical properties as a photovoltaic solar absorber material, but has seen relatively poor solar cell performance. To investigate the reason for this anomaly, the core levels of the constituent elements, surface contaminants, ionization potential, and valence-band spectra are studied by X-ray photoemission spectroscopy. The ionization potential and electron affinity for this material (4.98 and 3.43 eV) are lower than those for other common absorbers, including CuInxGa (1-x)Se 2 (CIGS). Experimentally corroborated density functional theory (DFT) calculations show that the valence band maximum is raised by the lone pair electrons from themore » antimony cations contributing additional states when compared with indium or gallium cations in CIGS. The resulting conduction band misalignment with CdS is a reason for the poor performance of cells incorporating a CAS/CdS heterojunction, supporting the idea that using a cell design analogous to CIGS is unhelpful. These findings underline the critical importance of considering the electronic structure when selecting cell architectures that optimize open-circuit voltages and cell efficiencies.« less

  13. 8-band and 14-band kp modeling of electronic band structure and material gain in Ga(In)AsBi quantum wells grown on GaAs and InP substrates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gladysiewicz, M.; Wartak, M. S.; Department of Physics and Computer Science, Wilfrid Laurier University, Waterloo, Ontario N2L 3C5

    The electronic band structure and material gain have been calculated for GaAsBi/GaAs quantum wells (QWs) with various bismuth concentrations (Bi ≤ 15%) within the 8-band and 14-band kp models. The 14-band kp model was obtained by extending the standard 8-band kp Hamiltonian by the valence band anticrossing (VBAC) Hamiltonian, which is widely used to describe Bi-related changes in the electronic band structure of dilute bismides. It has been shown that in the range of low carrier concentrations n < 5 × 10{sup 18 }cm{sup −3}, material gain spectra calculated within 8- and 14-band kp Hamiltonians are similar. It means that the 8-band kp model can be usedmore » to calculate material gain in dilute bismides QWs. Therefore, it can be applied to analyze QWs containing new dilute bismides for which the VBAC parameters are unknown. Thus, the energy gap and electron effective mass for Bi-containing materials are used instead of VBAC parameters. The electronic band structure and material gain have been calculated for 8 nm wide GaInAsBi QWs on GaAs and InP substrates with various compositions. In these QWs, Bi concentration was varied from 0% to 5% and indium concentration was tuned in order to keep the same compressive strain (ε = 2%) in QW region. For GaInAsBi/GaAs QW with 5% Bi, gain peak was determined to be at about 1.5 μm. It means that it can be possible to achieve emission at telecommunication windows (i.e., 1.3 μm and 1.55 μm) for GaAs-based lasers containing GaInAsBi/GaAs QWs. For GaInAsBi/Ga{sub 0.47}In{sub 0.53}As/InP QWs with 5% Bi, gain peak is predicted to be at about 4.0 μm, i.e., at the wavelengths that are not available in current InP-based lasers.« less

  14. Enhanced Electron Mobility in Nonplanar Tensile Strained Si Epitaxially Grown on SixGe1-x Nanowires.

    PubMed

    Wen, Feng; Tutuc, Emanuel

    2018-01-10

    We report the growth and characterization of epitaxial, coherently strained Si x Ge 1-x -Si core-shell nanowire heterostructure through vapor-liquid-solid growth mechanism for the Si x Ge 1-x core, followed by an in situ ultrahigh-vacuum chemical vapor deposition for the Si shell. Raman spectra acquired from individual nanowire reveal the Si-Si, Si-Ge, and Ge-Ge modes of the Si x Ge 1-x core and the Si-Si mode of the shell. Because of the compressive (tensile) strain induced by lattice mismatch, the core (shell) Raman modes are blue (red) shifted compared to those of unstrained bare Si x Ge 1-x (Si) nanowires, in good agreement with values calculated using continuum elasticity model coupled with lattice dynamic theory. A large tensile strain of up to 2.3% is achieved in the Si shell, which is expected to provide quantum confinement for electrons due to a positive core-to-shell conduction band offset. We demonstrate n-type metal-oxide-semiconductor field-effect transistors using Si x Ge 1-x -Si core-shell nanowires as channel and observe a 40% enhancement of the average electron mobility compared to control devices using Si nanowires due to an increased electron mobility in the tensile-strained Si shell.

  15. On the properties of synchrotron-like X-ray emission from laser wakefield accelerated electron beams

    NASA Astrophysics Data System (ADS)

    McGuffey, C.; Schumaker, W.; Matsuoka, T.; Chvykov, V.; Dollar, F.; Kalintchenko, G.; Kneip, S.; Najmudin, Z.; Mangles, S. P. D.; Vargas, M.; Yanovsky, V.; Maksimchuk, A.; Thomas, A. G. R.; Krushelnick, K.

    2018-04-01

    The electric and magnetic fields responsible for electron acceleration in a Laser Wakefield Accelerator (LWFA) also cause electrons to radiate x-ray photons. Such x-ray pulses have several desirable properties including short duration and being well collimated with tunable high energy. We measure the scaling of this x-ray source experimentally up to laser powers greater than 100 TW. An increase in laser power allows electron trapping at a lower density as well as with an increased trapped charge. These effects resulted in an x-ray fluence that was measured to increase non-linearly with laser power. The fluence of x-rays was also compared with that produced from K-α emission resulting from a solid target interaction for the same energy laser pulse. The flux was shown to be comparable, but the LWFA x-rays had a significantly smaller source size. This indicates that such a source may be useful as a backlighter for probing high energy density plasmas with ultrafast temporal resolution.

  16. The application of airborne imaging radars (L and X-band) to earth resources problems

    NASA Technical Reports Server (NTRS)

    Drake, B.; Shuchman, R. A.; Bryan, M. L.; Larson, R. W.; Liskow, C. L.; Rendleman, R. A.

    1974-01-01

    A multiplexed synthetic aperture Side-Looking Airborne Radar (SLAR) that simultaneously images the terrain with X-band (3.2 cm) and L-band (23.0 cm) radar wavelengths was developed. The Feasibility of using multiplexed SLAR to obtain useful information for earth resources purposes. The SLAR imagery, aerial photographs, and infrared imagery are examined to determine the qualitative tone and texture of many rural land-use features imaged. The results show that: (1) Neither X- nor L-band SLAR at moderate and low depression angles can directly or indirectly detect pools of water under standing vegetation. (2) Many of the urban and rural land-use categories present in the test areas can be identified and mapped on the multiplexed SLAR imagery. (3) Water resources management can be done using multiplexed SLAR. (4) Drainage patterns can be determined on both the X- and L-band imagery.

  17. Design of an Electronic Chest-Band

    NASA Astrophysics Data System (ADS)

    Atakan, R.; Acikgoz Tufan, H.; Baskan, H.; Eryuruk, S. H.; Akalin, N.; Kose, H.; Li, Y.; Kursun Bahadir, S.; Kalaoglu, F.

    2017-10-01

    In this study, an electronic chest strap prototype was designed for measuring fitness level, performance optimization, mobility and fall detection. Knitting technology is used for production by using highly elastic nylon yarn. In order to evaluate comfort performance of the garment, yarn strength and elongation, air permeability, moisture management and FAST tests (Fabric Assurance Fabric Testing) were carried out, respectively. After testing of textile part of the chest band, IMU sensors were integrated onto the garment by means of conductive yarns. Electrical conductivity of the circuit was also assessed at the end. Results indicated that the weight and the thickness of the product are relatively high for sports uses and it has a negative impact on comfort properties. However, it is highly stretchable and moisture management properties are still in acceptable values. From the perspective of possible application areas, developed smart chest band in this research could be used in sports facilities as well as health care applications for elderly and disabled people.

  18. Feasibility of producing a short, high energy s-band linear accelerator using a klystron power source.

    PubMed

    Baillie, Devin; St Aubin, J; Fallone, B G; Steciw, S

    2013-04-01

    To use a finite-element method (FEM) model to study the feasibility of producing a short s-band (2.9985 GHz) waveguide capable of producing x-rays energies up to 10 MV, for applications in a linac-MR, as well as conventional radiotherapy. An existing waveguide FEM model developed by the authors' group is used to simulate replacing the magnetron power source with a klystron. Peak fields within the waveguide are compared with a published experimental threshold for electric breakdown. The RF fields in the first accelerating cavity are scaled, approximating the effect of modifications to the first coupling cavity. Electron trajectories are calculated within the RF fields, and the energy spectrum, beam current, and focal spot of the electron beam are analyzed. One electron spectrum is selected for Monte Carlo simulations and the resulting PDD compared to measurement. When the first cavity fields are scaled by a factor of 0.475, the peak magnitude of the electric fields within the waveguide are calculated to be 223.1 MV∕m, 29% lower than the published threshold for breakdown at this operating frequency. Maximum electron energy increased from 6.2 to 10.4 MeV, and beam current increased from 134 to 170 mA. The focal spot FWHM is decreased slightly from 0.07 to 0.05 mm, and the width of the energy spectrum increased slightly from 0.44 to 0.70 MeV. Monte Carlo results show dmax is at 2.15 cm for a 10 × 10 cm(2) field, compared with 2.3 cm for a Varian 10 MV linac, while the penumbral widths are 4.8 and 5.6 mm, respectively. The authors' simulation results show that a short, high-energy, s-band accelerator is feasible and electric breakdown is not expected to interfere with operation at these field strengths. With minor modifications to the first coupling cavity, all electron beam parameters are improved.

  19. Direct Band Gap Gallium Antimony Phosphide (GaSbxP1−x) Alloys

    PubMed Central

    Russell, H. B.; Andriotis, A. N.; Menon, M.; Jasinski, J. B.; Martinez-Garcia, A.; Sunkara, M. K.

    2016-01-01

    Here, we report direct band gap transition for Gallium Phosphide (GaP) when alloyed with just 1–2 at% antimony (Sb) utilizing both density functional theory based computations and experiments. First principles density functional theory calculations of GaSbxP1−x alloys in a 216 atom supercell configuration indicate that an indirect to direct band gap transition occurs at x = 0.0092 or higher Sb incorporation into GaSbxP1−x. Furthermore, these calculations indicate band edge straddling of the hydrogen evolution and oxygen evolution reactions for compositions ranging from x = 0.0092 Sb up to at least x = 0.065 Sb making it a candidate for use in a Schottky type photoelectrochemical water splitting device. GaSbxP1−x nanowires were synthesized by reactive transport utilizing a microwave plasma discharge with average compositions ranging from x = 0.06 to x = 0.12 Sb and direct band gaps between 2.21 eV and 1.33 eV. Photoelectrochemical experiments show that the material is photoactive with p-type conductivity. This study brings attention to a relatively uninvestigated, tunable band gap semiconductor system with tremendous potential in many fields. PMID:26860470

  20. Band Tailing and Deep Defect States in CH 3NH 3Pb(I 1–xBr x) 3 Perovskites As Revealed by Sub-Bandgap Photocurrent

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sutter-Fella, Carolin M.; Miller, D. Westley; Ngo, Quynh P.

    Organometal halide perovskite semiconductors have emerged as promising candidates for optoelectronic applications because of the outstanding charge carrier transport properties, achieved with low-temperature synthesis. In this paper, we present highly sensitive sub-bandgap external quantum efficiency (EQE) measurements of Au/spiro-OMeTAD/CH 3NH 3Pb(I 1–xBr x) 3/TiO 2/FTO/glass photovoltaic devices. The room-temperature spectra show exponential band tails with a sharp onset characterized by low Urbach energies (E u) over the full halide composition space. The Urbach energies are 15–23 meV, lower than those for most semiconductors with similar bandgaps (especially with E g > 1.9 eV). Intentional aging of CH 3NH 3Pb(I 1–xBrmore » x) 3 for up to 2300 h, reveals no change in E u, despite the appearance of the PbI 2 phase due to decomposition, and confirms a high degree of crystal ordering. Moreover, sub-bandgap EQE measurements reveal an extended band of sub-bandgap electronic states that can be fit with one or two point defects for pure CH 3NH 3PbI 3 or mixed CH 3NH 3Pb(I 1–xBr x) 3 compositions, respectively. Finally, the study provides experimental evidence of defect states close to the midgap that could impact photocarrier recombination and energy conversion efficiency in higher bandgap CH 3NH 3Pb(I 1–xBr x) 3 alloys.« less

  1. Band Tailing and Deep Defect States in CH 3NH 3Pb(I 1–xBr x) 3 Perovskites As Revealed by Sub-Bandgap Photocurrent

    DOE PAGES

    Sutter-Fella, Carolin M.; Miller, D. Westley; Ngo, Quynh P.; ...

    2017-02-15

    Organometal halide perovskite semiconductors have emerged as promising candidates for optoelectronic applications because of the outstanding charge carrier transport properties, achieved with low-temperature synthesis. In this paper, we present highly sensitive sub-bandgap external quantum efficiency (EQE) measurements of Au/spiro-OMeTAD/CH 3NH 3Pb(I 1–xBr x) 3/TiO 2/FTO/glass photovoltaic devices. The room-temperature spectra show exponential band tails with a sharp onset characterized by low Urbach energies (E u) over the full halide composition space. The Urbach energies are 15–23 meV, lower than those for most semiconductors with similar bandgaps (especially with E g > 1.9 eV). Intentional aging of CH 3NH 3Pb(I 1–xBrmore » x) 3 for up to 2300 h, reveals no change in E u, despite the appearance of the PbI 2 phase due to decomposition, and confirms a high degree of crystal ordering. Moreover, sub-bandgap EQE measurements reveal an extended band of sub-bandgap electronic states that can be fit with one or two point defects for pure CH 3NH 3PbI 3 or mixed CH 3NH 3Pb(I 1–xBr x) 3 compositions, respectively. Finally, the study provides experimental evidence of defect states close to the midgap that could impact photocarrier recombination and energy conversion efficiency in higher bandgap CH 3NH 3Pb(I 1–xBr x) 3 alloys.« less

  2. Miniature X-band GaAs MMIC analog and bi-phase modulators for spaceborne communications applications

    NASA Technical Reports Server (NTRS)

    Mysoor, Narayan R.; Ali, Fazal

    1992-01-01

    The design concepts, analyses, and the development of GaAs monolithic microwave integrated circuit (MMIC) linear-phase and digital modulators for the next generation of spaceborne communications systems are summarized. The design approach uses a very compact lumped-element, quadrature hybrid, and MESFET-varactors to provide low-loss and well-controlled phase performance for deep-space transponder (DST) applications. The measured results of the MESFET-diode show a capacitance range of 2:1 under reverse bias, and a Q of 38 at 10 GHz. Three cascaded sections of hybrid-coupled reflection phase shifters have been modeled and simulations performed to provide an X-band (8415 +/- 50 MHz) DST phase modulator with +/-2.5 radians of peak phase deviation.

  3. Measurements and Simulations of Nadir-Viewing Radar Returns from the Melting Layer at X- and W-Bands

    NASA Technical Reports Server (NTRS)

    Liao, Liang; Meneghini, Robert; Tian, Lin; Heymsfield, Gerald M.

    2010-01-01

    Simulated radar signatures within the melting layer in stratiform rain, namely the radar bright band, are checked by means of comparisons with simultaneous measurements of the bright band made by the EDOP (X-band) and CRS (W-band) airborne Doppler radars during the CRYSTAL-FACE campaign in 2002. A stratified-sphere model, allowing the fractional water content to vary along the radius of the particle, is used to compute the scattering properties of individual melting snowflakes. Using the effective dielectric constants computed by the conjugate gradient-fast Fourier transform (CGFFT) numerical method for X and W bands, and expressing the fractional water content of melting particle as an exponential function in particle radius, it is found that at X band the simulated radar bright-band profiles are in an excellent agreement with the measured profiles. It is also found that the simulated W-band profiles usually resemble the shapes of the measured bright-band profiles even though persistent offsets between them are present. These offsets, however, can be explained by the attenuation caused by cloud water and water vapor at W band. This is confirmed by the comparisons of the radar profiles made in the rain regions where the un-attenuated W-band reflectivity profiles can be estimated through the X- and W band Doppler velocity measurements. The bright-band model described in this paper has the potential to be used effectively for both radar and radiometer algorithms relevant to the TRMM and GPM satellite missions.

  4. Energy dependence of the band-limited noise in black hole X-ray binaries★

    NASA Astrophysics Data System (ADS)

    Stiele, H.; Yu, W.

    2015-10-01

    Black hole low-mass X-ray binaries show a variety of variability features, which manifest as narrow peak-like structures superposed on broad noise components in power density spectra in the hard X-ray emission. In this work, we study variability properties of the band-limited noise component during the low-hard state for a sample of black hole X-ray binaries. We investigate the characteristic frequency and amplitude of the band-limited noise component and study covariance spectra. For observations that show a noise component with a characteristic frequency above 1 Hz in the hard energy band (4-8 keV), we found this very same component at a lower frequency in the soft band (1-2 keV). This difference in characteristic frequency is an indication that while both the soft and the hard band photons contribute to the same band-limited noise component, which likely represents the modulation of the mass accretion rate, the origin of the soft photons is actually further away from the black hole than the hard photons. Thus, the soft photons are characterized by larger radii, lower frequencies and softer energies, and are probably associated with a smaller optical depth for Comptonization up-scattering from the outer layer of the corona, or suggest a temperature gradient of the corona. We interpret this energy dependence within the picture of energy-dependent power density states as a hint that the contribution of the up-scattered photons originating in the outskirts of the Comptonizing corona to the overall emission in the soft band is becoming significant.

  5. Applications of Electron Linear Induction Accelerators

    NASA Astrophysics Data System (ADS)

    Westenskow*, Glen; Chen, Yu-Jiuan

    Linear Induction Accelerators (LIAs) can readily produce intense electron beams. For example, the ATA accelerator produced a 500 GW beam and the LIU-30 a 4 TW beam (see Chap. 2). Since the induction accelerator concept was proposed in the late 1950s [1, 2], there have been many proposed schemes to convert the beam power to other forms. Categories of applications that have been demonstrated for electron LIAs include:

  6. Electronic structure of the dilute magnetic semiconductor G a1 -xM nxP from hard x-ray photoelectron spectroscopy and angle-resolved photoemission

    NASA Astrophysics Data System (ADS)

    Keqi, A.; Gehlmann, M.; Conti, G.; Nemšák, S.; Rattanachata, A.; Minár, J.; Plucinski, L.; Rault, J. E.; Rueff, J. P.; Scarpulla, M.; Hategan, M.; Pálsson, G. K.; Conlon, C.; Eiteneer, D.; Saw, A. Y.; Gray, A. X.; Kobayashi, K.; Ueda, S.; Dubon, O. D.; Schneider, C. M.; Fadley, C. S.

    2018-04-01

    We have investigated the electronic structure of the dilute magnetic semiconductor (DMS) G a0.98M n0.02P and compared it to that of an undoped GaP reference sample, using hard x-ray photoelectron spectroscopy (HXPS) and hard x-ray angle-resolved photoemission spectroscopy (HARPES) at energies of about 3 keV. We present experimental data, as well as theoretical calculations, to understand the role of the Mn dopant in the emergence of ferromagnetism in this material. Both core-level spectra and angle-resolved or angle-integrated valence spectra are discussed. In particular, the HARPES experimental data are compared to free-electron final-state model calculations and to more accurate one-step photoemission theory. The experimental results show differences between G a0.98M n0.02P and GaP in both angle-resolved and angle-integrated valence spectra. The G a0.98M n0.02P bands are broadened due to the presence of Mn impurities that disturb the long-range translational order of the host GaP crystal. Mn-induced changes of the electronic structure are observed over the entire valence band range, including the presence of a distinct impurity band close to the valence-band maximum of the DMS. These experimental results are in good agreement with the one-step photoemission calculations and a prior HARPES study of G a0.97M n0.03As and GaAs [Gray et al., Nat. Mater. 11, 957 (2012), 10.1038/nmat3450], demonstrating the strong similarity between these two materials. The Mn 2 p and 3 s core-level spectra also reveal an essentially identical state in doping both GaAs and GaP.

  7. Design concepts and performance of NASA X-band transponder (DST) for deep space spacecraft applications

    NASA Technical Reports Server (NTRS)

    Mysoor, Narayan R.; Perret, Jonathan D.; Kermode, Arthur W.

    1991-01-01

    The design concepts and measured performance characteristics of an X band (7162 MHz/8415 MHz) breadboard deep space transponder (DST) for future spacecraft applications, with the first use scheduled for the Comet Rendezvous Asteroid Flyby (CRAF) and Cassini missions in 1995 and 1996, respectively. The DST consists of a double conversion, superheterodyne, automatic phase tracking receiver, and an X band (8415 MHz) exciter to drive redundant downlink power amplifiers. The receiver acquires and coherently phase tracks the modulated or unmodulated X band (7162 MHz) uplink carrier signal. The exciter phase modulates the X band (8415 MHz) downlink signal with composite telemetry and ranging signals. The receiver measured tracking threshold, automatic gain control static phase error, and phase jitter characteristics of the breadboard DST are in good agreement with the expected performance. The measured results show a receiver tracking threshold of -158 dBm and a dynamic signal range of 88 dB.

  8. Nonadiabatic dynamics of electron scattering from adsorbates in surface bands

    NASA Astrophysics Data System (ADS)

    Gumhalter, Branko; Šiber, Antonio; Buljan, Hrvoje; Fauster, Thomas

    2008-10-01

    We present a comparative study of nonadiabatic dynamics of electron scattering in quasi-two-dimensional surface band which is induced by the long-range component of the interactions with a random array of adsorbates. Using three complementary model descriptions of intraband spatiotemporal propagation of quasiparticles that go beyond the single-adsorbate scattering approach we are able to identify distinct subsequent regimes of evolution of an electron following its promotion into an unoccupied band state: (i) early quadratic or ballistic decay of the initial-state survival probability within the Heisenberg uncertainty window, (ii) preasymptotic exponential decay governed by the self-consistent Fermi golden rule scattering rate, and (iii) asymptotic decay described by a combined inverse power-law and logarithmic behavior. The developed models are applied to discuss the dynamics of intraband adsorbate-induced scattering of hot electrons excited into the n=1 image-potential band on Cu(100) surface during the first stage of a two-photon photoemission process. Estimates of crossovers between the distinct evolution regimes enable assessments of the lifespan of a standard quasiparticle behavior and thereby of the range of applicability of the widely used Fermi golden rule and optical Bloch equations approach for description of adsorbate-induced quasiparticle decay and dephasing in ultrafast experiments.

  9. Electronic and Optical Properties of Core/Shell Pb16X16/Cd52X52 (X =S, Se, Te) Quantum Dots

    NASA Astrophysics Data System (ADS)

    Tamukong, Patrick; Mayo, Michael; Kilina, Svetlana

    2015-03-01

    The electronic and optoelectronic properties of semiconductor quantum dots (QDs) are mediated by surface defects due to the presence of dangling bonds producing trap states within the HOMO-LUMO energy gap, and contributing to fluorescence quenching. Surface capping ligands are generally used to alleviate this problem and increase the quantum yields of QDs. An alternative way is to synthesize core-shell QD structures; i.e., a QD core with a shell of another semiconductor material. We have investigated the effects of Cd52X52 shells on the photoexcited dynamics of Pb16X16 (X =S, Se, Te) QDs. The thin (~ 0.50 nm) shells were found to result largely in type I core/shell structures and a blue shift of the absorption spectra. Our studies revealed fairly strong core-shell hybridization in the electronic states close to the conduction band (CB) edge for Pb16S16andPb16Se16 cores, whereas for the Pb16Te16 core, such CB states were largely shell-like in nature. Nonadiabatic DFT-based dynamics, coupled with the surface hopping method, was used to study the effects of the core and shell compositions on energy relaxation rates in these systems.

  10. Band offset and electron affinity of MBE-grown SnSe2

    NASA Astrophysics Data System (ADS)

    Zhang, Qin; Li, Mingda Oscar; Lochocki, Edward B.; Vishwanath, Suresh; Liu, Xinyu; Yan, Rusen; Lien, Huai-Hsun; Dobrowolska, Malgorzata; Furdyna, Jacek; Shen, Kyle M.; Cheng, Guangjun; Hight Walker, Angela R.; Gundlach, David J.; Xing, Huili G.; Nguyen, N. V.

    2018-01-01

    SnSe2 is currently considered a potential two-dimensional material that can form a near-broken gap heterojunction in a tunnel field-effect transistor due to its large electron affinity which is experimentally confirmed in this letter. With the results from internal photoemission and angle-resolved photoemission spectroscopy performed on Al/Al2O3/SnSe2/GaAs and SnSe2/GaAs test structures where SnSe2 is grown on GaAs by molecular beam epitaxy, we ascertain a (5.2 ± 0.1) eV electron affinity of SnSe2. The band offset from the SnSe2 Fermi level to the Al2O3 conduction band minimum is found to be (3.3 ± 0.05) eV and SnSe2 is seen to have a high level of intrinsic electron (n-type) doping with the Fermi level positioned at about 0.2 eV above its conduction band minimum. It is concluded that the electron affinity of SnSe2 is larger than that of most semiconductors and can be combined with other appropriate semiconductors to form near broken-gap heterojunctions for the tunnel field-effect transistor that can potentially achieve high on-currents.

  11. Energies of the X- and L-valleys in In{sub 0.53}Ga{sub 0.47}As from electronic structure calculations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Greene-Diniz, Gabriel; Greer, J. C.; Fischetti, M. V.

    2016-02-07

    Several theoretical electronic structure methods are applied to study the relative energies of the minima of the X- and L-conduction-band satellite valleys of In{sub x}Ga{sub 1−x}As with x = 0.53. This III-V semiconductor is a contender as a replacement for silicon in high-performance n-type metal-oxide-semiconductor transistors. The energy of the low-lying valleys relative to the conduction-band edge governs the population of channel carriers as the transistor is brought into inversion, hence determining current drive and switching properties at gate voltages above threshold. The calculations indicate that the position of the L- and X-valley minima are ∼1 eV and ∼1.2 eV, respectively, higher in energymore » with respect to the conduction-band minimum at the Γ-point.« less

  12. Observations of Heavy Rainfall in a Post Wildland Fire Area Using X-Band Polarimetric Radar

    NASA Astrophysics Data System (ADS)

    Cifelli, R.; Matrosov, S. Y.; Gochis, D. J.; Kennedy, P.; Moody, J. A.

    2011-12-01

    Polarimetric X-band radar systems have been used increasingly over the last decade for rainfall measurements. Since X-band radar systems are generally less costly, more mobile, and have narrower beam widths (for same antenna sizes) than those operating at lower frequencies (e.g., C and S-bands), they can be used for the "gap-filling" purposes for the areas when high resolution rainfall measurements are needed and existing operational radars systems lack adequate coverage and/or resolution for accurate quantitative precipitation estimation (QPE). The main drawback of X-band systems is attenuation of radar signals, which is significantly stronger compared to frequencies used by "traditional" precipitation radars operating at lower frequencies. The use of different correction schemes based on polarimetric data can, to a certain degree, overcome this drawback when attenuation does not cause total signal extinction. This presentation will focus on examining the use of high-resolution data from the NOAA Earth System Research Laboratory (ESRL) mobile X-band dual polarimetric radar for the purpose of estimating precipitation in a post-wildland fire area. The NOAA radar was deployed in the summer of 2011 to examine the impact of gap-fill radar on QPE and the resulting hydrologic response during heavy rain events in the Colorado Front Range in collaboration with colleagues from the National Center for Atmospheric Research (NCAR), Colorado State University (CSU), and the U.S. Geological Survey (USGS). A network of rain gauges installed by NCAR, the Denver Urban Drainage Flood Control District (UDFCD), and the USGS are used to compare with the radar estimates. Supplemental data from NEXRAD and the CSU-CHILL dual polarimetric radar are also used to compare with the NOAA X-band and rain gauges. It will be shown that rainfall rates and accumulations estimated from specific differential phase measurements (KDP) at X-band are in good agreement with the measurements from the gauge

  13. An X-band spacecraft transponder for deep space applications - Design concepts and breadboard performance

    NASA Technical Reports Server (NTRS)

    Mysoor, Narayan R.; Perret, Jonathan D.; Kermode, Arthur W.

    1992-01-01

    The design concepts and measured performance characteristics are summarized of an X band (7162 MHz/8415 MHz) breadboard deep space transponder (DSP) for future spacecraft applications, with the first use scheduled for the Comet Rendezvous Asteroid Flyby (CRAF) and Cassini missions in 1995 and 1996, respectively. The DST consists of a double conversion, superheterodyne, automatic phase tracking receiver, and an X band (8415 MHz) exciter to drive redundant downlink power amplifiers. The receiver acquires and coherently phase tracks the modulated or unmodulated X band (7162 MHz) uplink carrier signal. The exciter phase modulates the band (8415 MHz) downlink signal with composite telemetry and ranging signals. The receiver measured tracking threshold, automatic gain control, static phase error, and phase jitter characteristics of the breadboard DST are in good agreement with the expected performance. The measured results show a receiver tracking threshold of -158 dBm and a dynamic signal range of 88 dB.

  14. Computer-Automated Evolution of Spacecraft X-Band Antennas

    NASA Technical Reports Server (NTRS)

    Lohn, Jason D.; Homby, Gregory S.; Linden, Derek S.

    2010-01-01

    A document discusses the use of computer- aided evolution in arriving at a design for X-band communication antennas for NASA s three Space Technology 5 (ST5) satellites, which were launched on March 22, 2006. Two evolutionary algorithms, incorporating different representations of the antenna design and different fitness functions, were used to automatically design and optimize an X-band antenna design. A set of antenna designs satisfying initial ST5 mission requirements was evolved by use these algorithms. The two best antennas - one from each evolutionary algorithm - were built. During flight-qualification testing of these antennas, the mission requirements were changed. After minimal changes in the evolutionary algorithms - mostly in the fitness functions - new antenna designs satisfying the changed mission requirements were evolved and within one month of this change, two new antennas were designed and prototypes of the antennas were built and tested. One of these newly evolved antennas was approved for deployment on the ST5 mission, and flight-qualified versions of this design were built and installed on the spacecraft. At the time of writing the document, these antennas were the first computer-evolved hardware in outer space.

  15. Enhanced tunable narrow-band THz emission from laser-modulated electron beams

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xiang, D.; Stupakov, G.; /SLAC

    2009-06-19

    We propose and analyze a scheme to generate enhanced narrow-band terahertz (THz) radiation through down-conversion of the frequency of optical lasers using laser-modulated electron beams. In the scheme the electron beam is first energy modulated by two lasers with wave numbers k{sub 1} and k2, respectively. After passing through a dispersion section, the energy modulation is converted to density modulation. Due to the nonlinear conversion process, the beam will have density modulation at wave number k = nk{sub 1} + mk{sub 2}, where n and m are positive or negative integers. By properly choosing the parameters for the lasers andmore » dispersion section, one can generate density modulation at THz frequency in the beam using optical lasers. This density-modulated beam can be used to generate powerful narrow-band THz radiation. Since the THz radiation is in tight synchronization with the lasers, it should provide a high temporal resolution for the optical-pump THz-probe experiments. The central frequency of the THz radiation can be easily tuned by varying the wavelength of the two lasers and the energy chirp of the electron beam. The proposed scheme is in principle able to generate intense narrow-band THz radiation covering the whole THz range and offers a promising way towards the tunable intense narrow-band THz sources.« less

  16. X-ray absorption near edge structure/electron energy loss near edge structure calculation using the supercell orthogonalized linear combination of atomic orbitals method

    NASA Astrophysics Data System (ADS)

    Ching, Wai-Yim; Rulis, Paul

    2009-03-01

    Over the last eight years, a large number of x-ray absorption near edge structure (XANES) and/or electron energy loss near edge structure (ELNES) spectroscopic calculations for complex oxides and nitrides have been performed using the supercell-OLCAO (orthogonalized linear combination of atomic orbitals) method, obtaining results in very good agreement with experiments. The method takes into account the core-hole effect and includes the dipole matrix elements calculated from ab initio wavefunctions. In this paper, we describe the method in considerable detail, emphasizing the special advantages of this method for large complex systems. Selected results are reviewed and several hitherto unpublished results are also presented. These include the Y K edge of Y ions segregated to the core of a Σ31 grain boundary in alumina, O K edges of water molecules, C K edges in different types of single walled carbon nanotubes, and the Co K edge in the cyanocobalamin (vitamin B12) molecule. On the basis of these results, it is argued that the interpretation of specific features of the calculated XANES/ELNES edges is not simple for complex material systems because of the delocalized nature of the conduction band states. The long-standing notion of the 'fingerprinting' technique for spectral interpretation of experimental data is not tenable. A better approach is to fully characterize the structure under study, using either crystalline data or accurate ab initio modeling. Comparison between calculated XANES/ELNES spectra and available measurements enables us to ascertain the validity of the modeled structure. For complex crystals or structures, it is necessary to use the weighted sum of the spectra from structurally nonequivalent sites for comparison with the measured data. Future application of the supercell-OLCAO method to complex biomolecular systems is also discussed.

  17. Food Irradiation Using Electron Beams and X-Rays

    NASA Astrophysics Data System (ADS)

    Miller, Bruce

    2003-04-01

    mass throughput (dM/dt in kg/s) of an accelerator-based system is proportional to the average beam power (P in kW), and inversely proportional to the minimum required dose (Dm in kGy, with 1 kGy = 1 kJ/kg). The constant of proportionality is the mass throughput efficiency. Throughput efficiencies of 0.4 or better are typical of electron beam installations, but are only 0.025-0.035 for x-ray installations, primarily because of the inefficiency of bremsstrahlung generation at 5 MeV (about 8an axially-coupled, standing-wave, L-band linac with an average power in excess of 100 kW to achieve reasonable throughput rates with x-ray processing. Various design aspects of this new machine will be presented.

  18. Reconstruction of Band Structure Induced by Electronic Nematicity in an FeSe Superconductor

    NASA Astrophysics Data System (ADS)

    Nakayama, K.; Miyata, Y.; Phan, G. N.; Sato, T.; Tanabe, Y.; Urata, T.; Tanigaki, K.; Takahashi, T.

    2014-12-01

    We have performed high-resolution angle-resolved photoemission spectroscopy on an FeSe superconductor (Tc˜8 K ), which exhibits a tetragonal-to-orthorhombic structural transition at Ts˜90 K . At low temperature, we found splitting of the energy bands as large as 50 meV at the M point in the Brillouin zone, likely caused by the formation of electronically driven nematic states. This band splitting persists up to T ˜110 K , slightly above Ts, suggesting that the structural transition is triggered by the electronic nematicity. We have also revealed that at low temperature the band splitting gives rise to a van Hove singularity within 5 meV of the Fermi energy. The present result strongly suggests that this unusual electronic state is responsible for the unconventional superconductivity in FeSe.

  19. Spin coherence and 14N ESEEM effects of nitrogen-vacancy centers in diamond with X-band pulsed ESR

    DOE PAGES

    Rose, B. C.; Weis, C. D.; Tyryshkin, A. M.; ...

    2016-12-20

    Pulsed ESR experiments are reported for ensembles of negatively-charged nitrogen-vacancy centers (NV   - ) in diamonds at X-band magnetic fields (280–400 mT) and low temperatures (2–70 K). The NV   - centers in synthetic type IIa diamonds (nitrogen impurity concentration   < 1 ppm) are prepared with bulk concentrations of 2 • 10 13 cm   -3 to 4• 10 14 cm   -3 by high-energy electron irradiation and subsequent annealing. We find that a proper post-radiation anneal (1000°C for 60 min) is very important to repair the radiation damage and to recover long electron spin coherence times for NV  more » - s. After the annealing, spin coherence times of T 2  = 0.74ms at 5 K are achieved, being only limited by 13 C nuclear spectral diffusion in natural abundance diamonds. By measuring the temperature dependence of T 2 in the under-annealed diamonds (900°C) we directly extract the density (10 14  -16 cm   -3 ) and activation energy (2.5 meV) of unannealed defects responsible for the faster NV  - decoherence. At X-band magnetic fields, strong electron spin echo envelope modulation (ESEEM) is observed originating from the central 14 N nucleus, and we extract accurate 14 N nuclear hypefine and quadrupole tensors. In addition, the ESEEM effects from two proximal 13 C sites (second-nearest neighbor and fourth-nearest neighbor) are resolved and the respective 13 C hyperfine coupling constants are extracted.« less

  20. Dual roles of f electrons in mixing Al 3 p character into d -orbital conduction bands for lanthanide and actinide dialuminides

    DOE PAGES

    Altman, Alison B.; Pemmaraju, C. D.; Alayoglu, Selim; ...

    2018-01-15

    Correlated electron phenomena in lanthanide and actinide materials are driven by a complex interplay between the f and d orbitals. Here in this study, aluminum K-edge x-ray absorption spectroscopy and density functional theory calculations are used to evaluate the electronic structure of the dialuminides, MAl 2 (M = Ce, Sm, Eu, Yb, Lu, U, and Pu). The results show how the energy and occupancy of the 4f or 5f orbitals impacts mixing of Al 3p character into the 5d or 6d conduction bands, which has implications for understanding the magnetic and structural properties of correlated electron systems.

  1. Mini-RF S- and X-band Bistatic Observations of the Floor of Cabeus Crater

    NASA Astrophysics Data System (ADS)

    Patterson, Gerald Wesley; Stickle, Angela; Turner, Franklin; Jensen, James; Cahill, Joshua; Mini-RF Team

    2017-10-01

    The Mini-RF instrument aboard NASA’s Lunar Reconnaissance Orbiter (LRO) is a hybrid dual-polarized synthetic aperture radar (SAR) and operates in concert with the Arecibo Observatory (AO) and the Goldstone deep space communications complex 34 meter antenna DSS-13 to collect S- and X-band bistatic radar data of the Moon. Bistatic radar data provide a means to probe the near subsurface for the presence of water ice, which exhibits a strong response in the form of a Coherent Backscatter Opposition Effect (CBOE). This effect has been observed in radar data for the icy surfaces of the Galilean satellites, the polar caps of Mars, polar craters on Mercury, and terrestrial ice sheets in Greenland. Previous work using Mini-RF S-band (12.6 cm) bistatic data suggests the presence of a CBOE associated with the floor of the lunar south polar crater Cabeus. The LRO spacecraft has begun its third extended mission. For this phase of operations Mini-RF is leveraging the existing AO architecture to make S-band radar observations of additional polar craters (e.g., Haworth, Shoemaker, Faustini). The purpose of acquiring these data is to determine whether other polar craters exhibit the response observed for Cabeus. Mini-RF has also initiated a new mode of operation that utilizes the X-band (4.2cm) capability of the instrument receiver and a recently commissioned X/C-band transmitter within the Deep Space Network’s (DSN) Goldstone complex to collect bistatic X-band data of the Moon. The purpose of acquiring these data is to constrain the depth/thickness of materials that exhibit a CBOE response - with an emphasis on observing the floor of Cabeus. Recent Mini-RF X-band observations of the floors of the craters Cabeus do not show evidence for a CBOE. This would suggest that the upper ~0.5 meters of the regolith for the floor of Cabeus do not harber water ice in a form detectable at 4.2 cm wavelengths.

  2. The temperature dependence of vibronic lineshapes: Linear electron-phonon coupling

    NASA Astrophysics Data System (ADS)

    Roos, Claudia; Köhn, Andreas; Gauss, Jürgen; Diezemann, Gregor

    2014-10-01

    We calculate the effect of a linear electron-phonon coupling on vibronic transitions of dye molecules of arbitrary complexity. With the assumption of known vibronic frequencies (for instance from quantum-chemical calculations), we give expressions for the absorption or emission lineshapes in a second-order cumulant expansion. We show that the results coincide with those obtained from generalized Redfield theory if one uses the time-local version of the theory and applies the secular approximation. Furthermore, the theory allows to go beyond the Huang-Rhys approximation and can be used to incorporate Dushinsky effects in the treatment of the temperature dependence of optical spectra. We consider both, a pure electron-phonon coupling independent of the molecular vibrations and a coupling bilinear in the molecular vibrational modes and the phonon coordinates. We discuss the behavior of the vibronic density of states for various models for the spectral density representing the coupling of the vibronic system to the harmonic bath. We recover some of the results that have been derived earlier for the spin-boson model and we show that the behavior of the spectral density at low frequencies determines the dominant features of the spectra. In case of the bilinear coupling between the molecular vibrations and the phonons we give analytical expressions for different spectral densities. The spectra are reminiscent of those obtained from the well known Brownian oscillator model and one finds a zero-phonon line and phonon-side bands located at vibrational frequencies of the dye. The intensity of the phonon-side bands diminishes with increasing vibrational frequencies and with decreasing coupling strength (Huang-Rhys factor). It vanishes completely in the Markovian limit where only a Lorentzian zero-phonon line is observed.

  3. Tuning the energy band gap of ternary alloyed Cd1-xPbxS quantum dots for photovoltaic applications

    NASA Astrophysics Data System (ADS)

    Badawi, Ali

    2016-02-01

    Tuning the energy band gap of ternary alloyed Cd1-xPbxS (x: 0, 0.33, 0.5, 0.67 and 1) quantum dots (QDs) for photovoltaic applications is studied. Alloyed Cd1-xPbxS QDs were adsorbed onto TiO2 nanoparticles (NPs) using ssuccessive ionic layer adsorption and reaction (SILAR) methode. EDX measurements ensure the success adsorption of alloyed Cd1-xPbxS QDs onto the TiO2 electrode. At 100 mW/cm2 (AM 1.5) sun illumination, the photovoltaic performance of alloyed Cd1-xPbxS QDs sensitized solar cells (QDSSCs) was measured. The maximum values of Jsc (1.92 mA/cm2) and η (0.36%) for the alloyed Cd1-xPbxS QDSSCs were obtained when the molar ratio of Cd/Pb is 0.33/0.67. the open circuit voltage (Voc) is equal 0.61 ± 0.01 V for all alloyed Cd1-xPbxS QDSSCs. The electron back recombination rates decrease considerably for alloyed Cd1-xPbxS QDSSCs as x value increases, peaking at 0.67. The electron lifetime (τ) for Cd0.33Pb0.67S QDSSCs is one order of magnitude larger than that of the other alloyed Cd1-xPbxS QDSSCs with different x value. Under ON-OFF cycles to solar illumination, the open circuit voltage decay measurements show the high sensitivity and reproducibility of alloyed Cd1-xPbxS QDSSCs.

  4. Electronic structures of filled tetrahedral semiconductors LiMgN and LiZnN: conduction band distortion

    NASA Astrophysics Data System (ADS)

    Yu, L. H.; Yao, K. L.; Liu, Z. L.

    2004-12-01

    The band structures of the filled tetrahedral semiconductors LiMgN and LiZnN, viewed as the zinc-blende (MgN) - and (ZnN) - lattices partially filled with He-like Li + ion interstitials, were studied using the full-potential linearized augmented plane wave method (FP-LAPW) within density functional theory. The conduction band distortions of LiMgN and LiZnN, compared to their “parent” zinc-blende analog AlN and GaN, are discussed. It was found that the insertion of Li + ions at the interstitial sites near the cation or anion pushes the conduction band minimum of the X point in the Brillouin zone upward, relative to that of the Γ point, for both (MgN) - and (ZnN) - lattices (the valence band maximum is at Γ for AlN, GaN, LiMgN, and LiZnN), which provides a method to convert a zinc-blende indirect gap semiconductor into a direct gap material, but the conduction band distortion of the β phase (Li + near the cation) is quite stronger than that of the α phase (Li + near the anion). The total energy calculations show the α phase to be more stable than the β phase for both LiMgN and LiZnN. The Li-N and Mg-N bonds exhibit a strong ionic character, whereas the Zn-N bond has a strong covalent character in LiMgN and LiZnN.

  5. Effects of biaxial strains on electronic and elastic properties of hexagonal XSi2 (X = Cr, Mo, W) from first-principles

    NASA Astrophysics Data System (ADS)

    Zhu, Haiyan; Shi, Liwei; Li, Shuaiqi; Zhang, Shaobo; Xia, Wangsuo

    2018-02-01

    Structural, electronic properties and elastic anisotropy of hexagonal C40 XSi2 (X = Cr, Mo, W) under equibiaxial in-plane strains are systematically studied using first-principle calculations. The energy gaps show significant changes with biaxial strains, whereas they are always indirect band-gap materials for -6% <ɛxx < 6%. All elastic constants, bulk modulus, shear modulus, Young's modulus increase (decrease) almost linearly with increasing compressive (tensile) strains. The evolutions of BH /GH ratio and Poisson's ratio indicate that these compounds have a better (worse) ductile behaviour under compressive (tensile) strains. A set of 3D plots show a larger directional variability in the Young's modulus E and shear modulus G at different strains for the three compounds, which is consist with the values of anisotropy factors. Moreover, the evolution of Debye temperature and anisotropy of sound velocities with biaxial strains are discussed.

  6. Excitation of the Werner bands of H2 by electron impact

    NASA Technical Reports Server (NTRS)

    Stone, E. J.; Zipf, E. C.

    1972-01-01

    Absolute cross sections for the excitation of the H2 Werner band system were measured from energy threshold to 300 eV for electron impact on H2. The bands were observed in emission in the wavelength region 1100A to 1250A. The measured cross sections were compared with published transition probabilities, leading to the conclusion that the Werner bands are suitable as the basis for a relative spectral response calibration only when the bands are observed under sufficiently high resolution. The effect of the perturbation between the C 1Pi u and B 1 Sigma-u states of the hydrogen molecule was clearly observed in anomalies in the rotational intensity distribution in bands of the (3 v '') progression.

  7. Symmetry Breaking in the Correlated Electronic and Lattice Degrees of Freedom in the CuxTiSe2 T-x Phase Diagram

    NASA Astrophysics Data System (ADS)

    Lioi, David B.

    In this thesis I investigate the relationship between the charge density wave (CDW) phase and superconductivity in the T-x phase diagram of Cu xTiSe2. I find that the incommensurate (IC)-CDW is related to the superconducting phase due to the fact that the former effectively isolates the CDW subsystem degrees of freedom. This increases the symmetry of the electronic populations within the IC-CDW band structure and leave them susceptible to internal instabilities, which in turn give rise to the superconducting phase. Because the correlated properties of these solid-state phases of matter are highly dependent on the crystalline quality of our samples, I also detail the growth of pristine single crystals and utilize several characterization techniques to aid in this purpose. In this portion of the thesis the single crystals are deliberately injected with heat and monitored to deduce the formation of defects through selenium migration. I also confirm the existence of chiral symmetry breaking in the bulk commensurate (C)-CDW phase in TiSe2 brought about by the cooperation of phonon and exciton degrees of freedom, and also observe chiral character in fluctuations above TCDW. These thermal fluctuations were observed up to 80 K above TCDW via optical signatures of the folded Se-4p band and Raman signatures of the soft L1- phonon mode. The suppression of the excitonic degree of freedom with Cu intercalation brings about a quantum phase transition into the IC-CDW at x=0.04. Large quantum fluctuations of the folded Se-4p electronic band were observed at the quantum phase transition where measurements of the phonon system show the onset of incommensuration in the CDW super-lattice. Optical measurements demonstrate a large decoupling of the electron-phonon degrees of freedom within the electronic band structure of the IC-CDW subsystem.

  8. Band bending at the heterointerface of GaAs/InAs core/shell nanowires monitored by synchrotron X-ray photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Khanbabaee, B.; Bussone, G.; Knutsson, J. V.; Geijselaers, I.; Pryor, C. E.; Rieger, T.; Demarina, N.; Grützmacher, D.; Lepsa, M. I.; Timm, R.; Pietsch, U.

    2016-10-01

    Unique electronic properties of semiconductor heterostructured nanowires make them useful for future nano-electronic devices. Here, we present a study of the band bending effect at the heterointerface of GaAs/InAs core/shell nanowires by means of synchrotron based X-ray photoelectron spectroscopy. Different Ga, In, and As core-levels of the nanowire constituents have been monitored prior to and after cleaning from native oxides. The cleaning process mainly affected the As-oxides and was accompanied by an energy shift of the core-level spectra towards lower binding energy, suggesting that the As-oxides turn the nanowire surfaces to n-type. After cleaning, both As and Ga core-levels revealed an energy shift of about -0.3 eV for core/shell compared to core reference nanowires. With respect to depth dependence and in agreement with calculated strain distribution and electron quantum confinement, the observed energy shift is interpreted by band bending of core-levels at the heterointerface between the GaAs nanowire core and the InAs shell.

  9. Estimating tropical forest structure using LIDAR AND X-BAND INSAR

    NASA Astrophysics Data System (ADS)

    Palace, M. W.; Treuhaft, R. N.; Keller, M. M.; Sullivan, F.; Roberto dos Santos, J.; Goncalves, F. G.; Shimbo, J.; Neumann, M.; Madsen, S. N.; Hensley, S.

    2013-12-01

    Tropical forests are considered the most structurally complex of all forests and are experiencing rapid change due to anthropogenic and climatic factors. The high carbon stocks and fluxes make understanding tropical forests highly important to both regional and global studies involving ecosystems and climate. Large and remote areas in the tropics are prime targets for the use of remotely sensed data. Radar and lidar have previously been used to estimate forest structure, with an emphasis on biomass. These two remote sensing methods have the potential to yield much more information about forest structure, specifically through the use of X-band radar and waveform lidar data. We examined forest structure using both field-based and remotely sensed data in the Tapajos National Forest, Para, Brazil. We measured multiple structural parameters for about 70 plots in the field within a 25 x 15 km area that have TanDEM-X single-pass horizontally and vertically polarized radar interferometric data. High resolution airborne lidar were collected over a 22 sq km portion of the same area, within which 33 plots were co-located. Preliminary analyses suggest that X-band interferometric coherence decreases by about a factor of 2 (from 0.95 to 0.45) with increasing field-measured vertical extent (average heights of 7-25 m) and biomass (10-430 Mg/ha) for a vertical wavelength of 39 m, further suggesting, as has been observed at C-band, that interferometric synthetic aperture radar (InSAR) is substantially more sensitive to forest structure/biomass than SAR. Unlike InSAR coherence versus biomass, SAR power at X-band versus biomass shows no trend. Moreover, airborne lidar coherence at the same vertical wavenumbers as InSAR is also shown to decrease as a function of biomass, as well. Although the lidar coherence decrease is about 15% more than the InSAR, implying that lidar penetrates more than InSAR, these preliminary results suggest that X-band InSAR may be useful for structure and

  10. Polarization control in an X-ray free-electron laser

    DOE PAGES

    Lutman, Alberto A.; MacArthur, James P.; Ilchen, Markus; ...

    2016-05-09

    X-ray free-electron lasers are unique sources of high-brightness coherent radiation. However, existing devices supply only linearly polarized light, precluding studies of chiral dynamics. A device called the Delta undulator has been installed at the Linac Coherent Light Source (LCLS) to provide tunable polarization. With a reverse tapered planar undulator line to pre-microbunch the beam and the novel technique of beam diverting, hundreds of microjoules of circularly polarized X-ray pulses are produced at 500–1,200 eV. These X-ray pulses are tens of femtoseconds long, have a degree of circular polarization of 0.98 –0.04 +0.02 at 707 eV and may be scanned inmore » energy. We also present a new two-colour X-ray pump–X-ray probe operating mode for the LCLS. As a result, energy differences of ΔE/E = 2.4% are supported, and the second pulse can be adjusted to any elliptical polarization. In this mode, the pointing, timing, intensity and wavelength of the two pulses can be modified.« less

  11. The modification of X and L band radar signals by monomolecular sea slicks

    NASA Technical Reports Server (NTRS)

    Huehnerfuss, H.; Alpers, W.; Cross, A.; Garrett, W. D.; Keller, W. C.; Plant, W. J.; Schuler, D. L.; Lange, P. A.; Schlude, F.

    1983-01-01

    One methyl oleate and two oleyl alcohol surface films were produced on the surface of the North Sea under comparable oceanographic and meteorological conditions in order to investigate their influence on X and L band radar backscatter. Signals are backscattered in these bands primarily by surface waves with lengths of about 2 and 12 cm, respectively, and backscattered power levels in both bands were reduced by the slicks. The reduction was larger at X band than at L band, however, indicating that shorter waves are more intensely damped by the surface films. The oleyl alcohol film caused greater attenuation of short gravity waves than the film of methyl oleate, thus demonstrating the importance of the physicochemical properties of films on the damping of wind-generated gravity capillary waves. Finally, these experiments indicate a distinct dependence of the degree of damping on the angle between wind and waves. Wind-generated waves traveling in the wind direction are more intensely damped by surface films than are waves traveling at large angles to the wind.

  12. All-optical band engineering of gapped Dirac materials

    NASA Astrophysics Data System (ADS)

    Kibis, O. V.; Dini, K.; Iorsh, I. V.; Shelykh, I. A.

    2017-03-01

    We demonstrate theoretically that the interaction of electrons in gapped Dirac materials (gapped graphene and transition-metal dichalchogenide monolayers) with a strong off-resonant electromagnetic field (dressing field) substantially renormalizes the band gaps and the spin-orbit splitting. Moreover, the renormalized electronic parameters drastically depend on the field polarization. Namely, a linearly polarized dressing field always decreases the band gap (and, particularly, can turn the gap into zero), whereas a circularly polarized field breaks the equivalence of valleys in different points of the Brillouin zone and can both increase and decrease corresponding band gaps. As a consequence, the dressing field can serve as an effective tool to control spin and valley properties of the materials and be potentially exploited in optoelectronic applications.

  13. Band gap bowing and crossing of BxGa1-xN alloy investigated by hybrid functional method

    NASA Astrophysics Data System (ADS)

    Jiaping, Jiang; Yanqin, Gai; Gang, Tang

    2016-02-01

    The electronic properties of zinc-blende BxGa1-xN alloys are comparatively investigated by employing both the Perdewe-Burkee-Ernzerhof generalized-gradient approximation (PBE-GGA) and the Heyd-Scuseria-Ernzerhof screened hybrid functional methods (HSE06). HSE06 reproduced much closer ground-state properties to experiments. Large and composition-dependent bowing parameters bγ for the direct band gaps were obtained from both PBE and HSE06. The crossover composition where alloy switches from direct to indirect was predicted to occur at very similar x from PBE and HSE06. We can obtain direct gap BxGa1-xN with a gap value much larger than that of GaN by alloying x < 0.557 boron into GaN. Project supported by the Fundamental Research Funds for the Central Universities (No. 2010LKWL03), the Special Fund for Theoretical Physics (No. 11047130), and the National Natural Science Foundation of China (No. 11104345).

  14. 21-nm-range wavelength-tunable L-band Er-doped fiber linear-cavity laser

    NASA Astrophysics Data System (ADS)

    Yang, Shiquan; Zhao, Chunliu; Li, Zhaohui; Ding, Lei; Yuan, Shuzhong; Dong, Xiaoyi

    2001-10-01

    A novel method, which utilizes amplified spontaneous emission (ASE) as a secondary pump source, is presented for implanting a linear cavity erbium-doped fiber laser operating in L-Band. The output wavelength tuned from 1566 nm to 1587 nm, about 21 nm tuning range, was obtained in the experiment and the stability of the laser is very good.

  15. Theoretical analysis of the electronic, optical and thermal properties of lead strontium telluride alloys Pb1-xSrxTe (x = 0.0-1.0)

    NASA Astrophysics Data System (ADS)

    Chouit, F.; Sifi, C.; Slimani, M.; Meradji, H.; Ghemid, S.; Khenata, R.; Rai, D. P.; Bin Omran, S.

    2018-02-01

    We have simulated different physical properties of Pb1-xSrxTe semiconductors, using the Ab-initio full potential augmented plane wave (FP-LAPW) method. The two commonly used exchange potentials viz., PBE-GGA and WC-GGA are used along with the most recently developed modified Becke and Johnson (mBJ) potential to study the electronic and optical properties. In this study, we have observed an increase in band gap values as well as the lattice parameter with increasing the concentration of Sr atoms in Pb1-xSrxTe alloys while the bulk modulus and the refractive index have reverse effect. The microscopic origin of the band gap bowing is explained using the approach of Zunger and co-workers. At ambient conditions (p = 0, T = 0), the calculations indicate that Pb1-xSrxTe is a direct band gap semiconductor R-R with x = 0.125, 0.25, 0.375, 0.5, 0.625, 0.75 and 0.875. The refractive indices are also calculated using the FP-LAPW method and the models of Moss, Ravindra and the Herve-Vandame. The obtained results are in consistent with the previous available data. To study the thermal effects, the temperature effect on the lattice parameters, thermal expansions, heat capacities the quasi-harmonic Debye model is applied. The Debye temperature is determined from the non-equilibrium Gibbs function.

  16. Graph-based linear scaling electronic structure theory.

    PubMed

    Niklasson, Anders M N; Mniszewski, Susan M; Negre, Christian F A; Cawkwell, Marc J; Swart, Pieter J; Mohd-Yusof, Jamal; Germann, Timothy C; Wall, Michael E; Bock, Nicolas; Rubensson, Emanuel H; Djidjev, Hristo

    2016-06-21

    We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

  17. Graph-based linear scaling electronic structure theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Niklasson, Anders M. N., E-mail: amn@lanl.gov; Negre, Christian F. A.; Cawkwell, Marc J.

    2016-06-21

    We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

  18. Broad-band simulation of M7.2 earthquake on the North Tehran fault, considering non-linear soil effects

    NASA Astrophysics Data System (ADS)

    Majidinejad, A.; Zafarani, H.; Vahdani, S.

    2018-05-01

    The North Tehran fault (NTF) is known to be one of the most drastic sources of seismic hazard on the city of Tehran. In this study, we provide broad-band (0-10 Hz) ground motions for the city as a consequence of probable M7.2 earthquake on the NTF. Low-frequency motions (0-2 Hz) are provided from spectral element dynamic simulation of 17 scenario models. High-frequency (2-10 Hz) motions are calculated with a physics-based method based on S-to-S backscattering theory. Broad-band ground motions at the bedrock level show amplifications, both at low and high frequencies, due to the existence of deep Tehran basin in the vicinity of the NTF. By employing soil profiles obtained from regional studies, effect of shallow soil layers on broad-band ground motions is investigated by both linear and non-linear analyses. While linear soil response overestimate ground motion prediction equations, non-linear response predicts plausible results within one standard deviation of empirical relationships. Average Peak Ground Accelerations (PGAs) at the northern, central and southern parts of the city are estimated about 0.93, 0.59 and 0.4 g, respectively. Increased damping caused by non-linear soil behaviour, reduces the soil linear responses considerably, in particular at frequencies above 3 Hz. Non-linear deamplification reduces linear spectral accelerations up to 63 per cent at stations above soft thick sediments. By performing more general analyses, which exclude source-to-site effects on stations, a correction function is proposed for typical site classes of Tehran. Parameters for the function which reduces linear soil response in order to take into account non-linear soil deamplification are provided for various frequencies in the range of engineering interest. In addition to fully non-linear analyses, equivalent-linear calculations were also conducted which their comparison revealed appropriateness of the method for large peaks and low frequencies, but its shortage for small to

  19. Tuning the Magnetic and Electronic Properties of Iron(x )Silicon(1-x) Thin Films for Spintronics

    NASA Astrophysics Data System (ADS)

    Karel, Julie Elizabeth

    average there are the same number of Fe-Fe first nearest neighbor pairs in both structures. Only the second nearest neighbor environments, which have a weaker effect on the magnetic moment, are different. An enhanced magnetic moment due to enhanced spin and orbital moments was observed in all amorphous films versus crystalline films of the same composition. Not surprisingly, the electronic properties were also found to depend strongly on chemical and structural order, based on hard X-ray photoemission spectroscopy and DFT calculations. The core-level peaks in the amorphous structure (x=0.67) show little broadening despite a significant energy shift, suggesting that the local environment around the Si atoms is different than in the crystalline materials but far more uniform than expected, consistent with XAFS results, which showed that Si is well-ordered. A well-resolved Si 2p spin-orbit splitting for two epitaxial alloys, x=0.72 (D03) and 0.67 (B2) suggests that nearest-neighbor interactions are the dominant effect on binding energy for the Si atoms in the sample. The Si 2p peak in the amorphous sample also shows spin-orbit splitting, another indication that the local structure around each Si atom is relatively well defined. The valence bands show a broadening of the features when chemical and structural disorder is increased, consistent with theoretical band structure calculations for D03, B2, A2 and amorphous structures. Lastly, the anomalous Hall effect, observed in all films, was very large in the amorphous films versus epitaxial films with the same composition. To investigate the origins of the AHE, sigmaxy/M z was plotted versus sigmaxx, allowing for comparison to recent theoretical calculations. In the epitaxial films, sigma xy/Mz is constant, meaning the AHE is dominated by the intrinsic mechanism, as predicted theoretically in this moderate longitudinal conductivity regime. The AHE in the low conductivity regime (amorphous films) shows a scaling with conductivity

  20. Energy band gap and spectroscopic studies in Mn{sub 1-x}Cu{sub x}WO{sub 4} (0 ≤ x ≤ 0.125)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mal, Priyanath; Rambabu, P.; Turpu, G. R.

    2016-05-06

    A study on the effect of nonmagnetic Cu{sup 2+} substitution at Mn{sup 2+} site on the structural and energy band gap of the MnWO{sub 4} is reported. Convenient solid state reaction route has been adopted for the synthesis of Mn{sub 1-x}Cu{sub x}WO{sub 4}. X-ray diffraction (XRD) pattern showed high crystalline quality of the prepared samples. Raman spectroscopic studies were carried out to understand the structural aspects of the doping. 15 Raman active modes were identified out of 18, predicted for wolframite type monoclinic structure of MnWO{sub 4}. UV-visible diffuse reflectance spectra were recorded and analyzed to get energy band gapmore » of the studied system and are found in the range of 2.5 eV to 2.04 eV with a systematic decrease with the increase in Cu{sup 2+} concentration. Energy band gap values are verified by Density Functional Theory calculations based on projector augmented wave (PAW) method. The calculated values are in good agreement with the experimental data.« less

  1. Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu 3 N

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Birkett, Max; Savory, Christopher N.; Fioretti, Angela N.

    The temperature-dependence of the direct band gap and thermal expansion in the metastable anti-ReO 3 semiconductor Cu 3N are investigated between 4.2 and 300 K by Fourier-transform infrared spectroscopy and x-ray diffraction. Complementary refractive index spectra are determined by spectroscopic ellipsometry at 300K. A direct gap of 1.68eV is associated with the absorption onset at 300K, which strengthens continuously and reaches a magnitude of 3.5 x 10 5cm -1 at 2.7eV, suggesting potential for photovoltaic applications. Notably, the direct gap redshifts by just 24meV between 4.2 and 300K, giving an atypically small band-gap temperature coefficient dE g/dT of -0.082meV/K. Additionally,more » the band structure, dielectric function, phonon dispersion, linear expansion, and heat capacity are calculated using density functional theory; remarkable similarities between the experimental and calculated refractive index spectra support the accuracy of these calculations, which indicate beneficially low hole effective masses and potential negative thermal expansion below 50K. To assess the lattice expansion contribution to the band-gap temperature-dependence, a quasiharmonic model fit to the observed lattice contraction finds a monotonically decreasing linear expansion (descending past 10 -6K -1 below 80K), while estimating the Debye temperature, lattice heat capacity, and Gruneisen parameter. Accounting for lattice and electron-phonon contributions to the observed band-gap evolution suggests average phonon energies that are qualitatively consistent with predicted maxima in the phonon density of states. Furthermore, as band-edge temperature-dependence has significant consequences for device performance, copper nitride should be well suited for applications that require a largely temperature-invariant band gap.« less

  2. Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu 3 N

    DOE PAGES

    Birkett, Max; Savory, Christopher N.; Fioretti, Angela N.; ...

    2017-03-06

    The temperature-dependence of the direct band gap and thermal expansion in the metastable anti-ReO 3 semiconductor Cu 3N are investigated between 4.2 and 300 K by Fourier-transform infrared spectroscopy and x-ray diffraction. Complementary refractive index spectra are determined by spectroscopic ellipsometry at 300K. A direct gap of 1.68eV is associated with the absorption onset at 300K, which strengthens continuously and reaches a magnitude of 3.5 x 10 5cm -1 at 2.7eV, suggesting potential for photovoltaic applications. Notably, the direct gap redshifts by just 24meV between 4.2 and 300K, giving an atypically small band-gap temperature coefficient dE g/dT of -0.082meV/K. Additionally,more » the band structure, dielectric function, phonon dispersion, linear expansion, and heat capacity are calculated using density functional theory; remarkable similarities between the experimental and calculated refractive index spectra support the accuracy of these calculations, which indicate beneficially low hole effective masses and potential negative thermal expansion below 50K. To assess the lattice expansion contribution to the band-gap temperature-dependence, a quasiharmonic model fit to the observed lattice contraction finds a monotonically decreasing linear expansion (descending past 10 -6K -1 below 80K), while estimating the Debye temperature, lattice heat capacity, and Gruneisen parameter. Accounting for lattice and electron-phonon contributions to the observed band-gap evolution suggests average phonon energies that are qualitatively consistent with predicted maxima in the phonon density of states. Furthermore, as band-edge temperature-dependence has significant consequences for device performance, copper nitride should be well suited for applications that require a largely temperature-invariant band gap.« less

  3. Band Offset Measurements in Atomic-Layer-Deposited Al2O3/Zn0.8Al0.2O Heterojunction Studied by X-ray Photoelectron Spectroscopy.

    PubMed

    Yan, Baojun; Liu, Shulin; Heng, Yuekun; Yang, Yuzhen; Yu, Yang; Wen, Kaile

    2017-12-01

    Pure aluminum oxide (Al 2 O 3 ) and zinc aluminum oxide (Zn x Al 1-x O) thin films were deposited by atomic layer deposition (ALD). The microstructure and optical band gaps (E g ) of the Zn x Al 1-x O (0.2 ≤ x ≤ 1) films were studied by X-ray diffractometer and Tauc method. The band offsets and alignment of atomic-layer-deposited Al 2 O 3 /Zn 0.8 Al 0.2 O heterojunction were investigated in detail using charge-corrected X-ray photoelectron spectroscopy. In this work, different methodologies were adopted to recover the actual position of the core levels in insulator materials which were easily affected by differential charging phenomena. Valence band offset (ΔE V ) and conduction band offset (ΔE C ) for the interface of the Al 2 O 3 /Zn 0.8 Al 0.2 O heterojunction have been constructed. An accurate value of ΔE V  = 0.82 ± 0.12 eV was obtained from various combinations of core levels of heterojunction with varied Al 2 O 3 thickness. Given the experimental E g of 6.8 eV for Al 2 O 3 and 5.29 eV for Zn 0.8 Al 0.2 O, a type-I heterojunction with a ΔE C of 0.69 ± 0.12 eV was found. The precise determination of the band alignment of Al 2 O 3 /Zn 0.8 Al 0.2 O heterojunction is of particular importance for gaining insight to the design of various electronic devices based on such heterointerface.

  4. Discrete Electronic Bands in Semiconductors and Insulators: Potential High-Light-Yield Scintillators

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shi, Hongliang; Du, Mao-Hua

    Bulk semiconductors and insulators typically have continuous valence and conduction bands. In this paper, we show that valence and conduction bands of a multinary semiconductor or insulator can be split to narrow discrete bands separated by large energy gaps. This unique electronic structure is demonstrated by first-principles calculations in several quaternary elpasolite compounds, i.e., Cs 2NaInBr 6, Cs 2NaBiCl 6, and Tl 2NaBiCl 6. The narrow discrete band structure in these quaternary elpasolites is due to the large electronegativity difference among cations and the large nearest-neighbor distances in cation sublattices. We further use Cs 2NaInBr 6 as an example tomore » show that the narrow bands can stabilize self-trapped and dopant-bound excitons (in which both the electron and the hole are strongly localized in static positions on adjacent sites) and promote strong exciton emission at room temperature. The discrete band structure should further suppress thermalization of hot carriers and may lead to enhanced impact ionization, which is usually considered inefficient in bulk semiconductors and insulators. Finally, these characteristics can enable efficient room-temperature light emission in low-gap scintillators and may overcome the light-yield bottleneck in current scintillator research.« less

  5. Discrete Electronic Bands in Semiconductors and Insulators: Potential High-Light-Yield Scintillators

    DOE PAGES

    Shi, Hongliang; Du, Mao-Hua

    2015-05-12

    Bulk semiconductors and insulators typically have continuous valence and conduction bands. In this paper, we show that valence and conduction bands of a multinary semiconductor or insulator can be split to narrow discrete bands separated by large energy gaps. This unique electronic structure is demonstrated by first-principles calculations in several quaternary elpasolite compounds, i.e., Cs 2NaInBr 6, Cs 2NaBiCl 6, and Tl 2NaBiCl 6. The narrow discrete band structure in these quaternary elpasolites is due to the large electronegativity difference among cations and the large nearest-neighbor distances in cation sublattices. We further use Cs 2NaInBr 6 as an example tomore » show that the narrow bands can stabilize self-trapped and dopant-bound excitons (in which both the electron and the hole are strongly localized in static positions on adjacent sites) and promote strong exciton emission at room temperature. The discrete band structure should further suppress thermalization of hot carriers and may lead to enhanced impact ionization, which is usually considered inefficient in bulk semiconductors and insulators. Finally, these characteristics can enable efficient room-temperature light emission in low-gap scintillators and may overcome the light-yield bottleneck in current scintillator research.« less

  6. An electron tunneling study of superconductivity in amorphous Sn(sub 1-x)Cu(sub x) thin films

    NASA Technical Reports Server (NTRS)

    Naugle, D. G.; Watson, P. W., III; Rathnayaka, K. D. D.

    1995-01-01

    The amorphous phase of Sn would have a superconducting transition temperature near 8 K, much higher than that of crystalline Sn with T(sub c) = 3.5 K. To obtain the amorphous phase, however, it is necessary to use a Sn alloy, usually Cu, and quench condense the alloy films onto a liquid He temperature substrate. Alloying with Cu reduces the superconducting transition temperature almost linearly with Cu concentration with an extrapolation of T(sub c) to zero for x = 0.85. Analysis of the tunneling characteristics between a normal metal electrode with an insulating barrier and superconducting amorphous Sn-Cu films provides detailed information on the changes in the electron-phonon coupling which determines T(sub c) in these alloys. The change from very strong electron-phonon coupling to weak-coupling with the increase in Cu content of amorphous Sn-Cu alloys for the range 0.08 is less than or equal to x is less than or equal to 0.41 is presented and discussed in terms of theories of electron-phonon coupling in disordered metals.

  7. Composition-dependent photoluminescence and electronic structure of 2-dimensional borocarbonitrides, BC X N (x = 1, 5)

    NASA Astrophysics Data System (ADS)

    Moses, Kota; Shirodkar, Sharmila N.; Waghmare, U. V.; Rao, C. N. R.

    2014-04-01

    Layered borocarbonitrides BCN and BC5N with a wide difference in composition have been prepared by the urea route. These 2D materials show a significant difference in the photoluminescence spectra, with BCN and BC5N showing maxima at 340 and 410 nm (3.61 and 3.0 eV), besides exhibiting different electrical resistivities. First-principles calculations show that BCN and BC5N are associated with different band gaps, the gap of the carbon-rich composition being lower. The change in the electronic structure and properties is related to the composition of BC X N i.e. the ordering of the graphene and BN domains.

  8. Ka-band and X-band observations of the solar corona acquired during the Cassini 2001 superior conjunction

    NASA Technical Reports Server (NTRS)

    Morabito, D. D.

    2002-01-01

    Simultaneous dual-frequency Ka-band (32 GHz) and X-band (8.4 GHz) carrier signal data have been acquired during the superior conjunction of the Cassini spacecraft June 2001, using the NASA Deep Space Network's facilities located in Goldstone, California. The solar elongation angle of the observations varied from -4.1 degrees (-16 solar radii) to -0.6 degrees (-2.3 solar radii). The observed coronal and solar effects on the signals include spectral broadening, amplitude scintillation, phase scintillation, and increased noise. The measurements were generally consistent with existing solar models, except during solar transient events when the signatures of the measurements were observed to increase significantly above the quiet background levels. This is the second solar conjunction of Cassini for which simultaneous X/Ka data were acquired. Both solar conjunctions, conducted in May 2000 and June 2001, occurred near the peak of the current 11 year solar cycle.

  9. Measurements of Local Strain Variation in Si(1-x)Ge(x)/Si Heterostructures

    NASA Technical Reports Server (NTRS)

    Bell, L. D.; Kaiser, W. J.; Manion, S. J.; Milliken, S. J.; Pike, W. T.; Fathauer, R. W.

    1995-01-01

    The energy splitting of the conduction-band minimum of Si(1-x), Ge(x), due to strain has been directly measured by the application of ballistic-electron-emission microscope (BEEM) spectroscopy to Ag/Si(1-x), Ge(x) structures. Experimental values for this conduction-band splitting agree well with calculations. For Au/Si(1-x), Ge(x), however, heterogeneity in the strain of the Si(1-x), Ge(x) layer is introduced by deposition of the Au. This variation is attributed to species interdiffusion, which produces a rough Si(1-x)Ge(x) surface. Preliminary modeling indicates that the observed roughness is consistent with the strain variation measured by BEEM.

  10. The electronic and transport properties of monolayer transition metal dichalcogenides: a complex band structure analysis

    NASA Astrophysics Data System (ADS)

    Szczesniak, Dominik

    Recently, monolayer transition metal dichalcogenides have attracted much attention due to their potential use in both nano- and opto-electronics. In such applications, the electronic and transport properties of group-VIB transition metal dichalcogenides (MX2 , where M=Mo, W; X=S, Se, Te) are particularly important. Herein, new insight into these properties is presented by studying the complex band structures (CBS's) of MX2 monolayers while accounting for spin-orbit coupling effects. By using the symmetry-based tight-binding model a nonlinear generalized eigenvalue problem for CBS's is obtained. An efficient method for solving such class of problems is presented and gives a complete set of physically relevant solutions. Next, these solutions are characterized and classified into propagating and evanescent states, where the latter states present not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gaps, which describe the tunneling currents in the MX2 materials. The importance of CBS's and tunneling currents is demonstrated by the analysis of the quantum transport across MX2 monolayers within phase field matching theory. Present work has been prepared within the Qatar Energy and Environment Research Institute (QEERI) grand challenge ATHLOC project (Project No. QEERI- GC-3008).

  11. Epitaxial growth of MgO/Ga2O3 heterostructure and its band alignment studied by X-ray photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Matsuo, Norihiro; Doko, Naoki; Yasukawa, Yukiko; Saito, Hidekazu; Yuasa, Shinji

    2018-07-01

    We have grown an epitaxial MgO/Ga2O3 heterostructure on a MgO(001) substrate by molecular beam epitaxy. Crystallographic studies revealed the out-of-plane and in-plane crystal orientations between the MgO overlayer and the Ga2O3 layer, which were MgO(001) ∥ β-Ga2O3(001) and MgO[100] ∥ β-Ga2O3 [02\\bar{1}], respectively. The valence band offset at the MgO/β-Ga2O3 interface was determined to be 0.19 eV (type-II band alignment) by X-ray photoelectron spectroscopy, resulting in a large conduction band offset of 2.7–3.2 eV. These results indicate that MgO is a promising potential barrier for electrons in an epitaxial MgO/Ga2O3 multilayered structure.

  12. The electronic structure of lithium metagallate.

    PubMed

    Johnson, N W; McLeod, J A; Moewes, A

    2011-11-09

    Herein we present a study of the electronic structure of lithium metagallate (LiGaO(2)), a material of interest in the field of optoelectronics. We use soft x-ray spectroscopy to probe the electronic structure of both the valence and conduction bands and compare our measurements to ab initio density functional theory calculations. We use several different exchange-correlation functionals, but find that no single theoretical approach used herein accurately quantifies both the band gap and the Ga 3d(10) states in LiGaO(2). We derive a band gap of 5.6 eV, and characterize electron hybridization in both the valence and conduction bands. Our study of the x-ray spectra may prove useful in analysing spectra from more complicated LiGaO(2) heterostructures. © 2011 IOP Publishing Ltd

  13. Nano-crystalline Magnesium Substituted Cadmium Ferrites as X-band Microwave Absorbers

    NASA Astrophysics Data System (ADS)

    Bhongale, S. R.; Ingawale, H. R.; Shinde, T. J.; Pubby, Kunal; Bindra Narang, Sukhleen; Vasambekar, P. N.

    2017-11-01

    The magnetic and electromagnetic properties of nanocrystalline spinel ferrites with chemical formula MgxCd1-xFe2O4 (x = 0, 0.2, 0.4, 0.6, 0.8 and 1.0) prepared by oxalate co-precipitation method under microwave sintering technique were studied. The magnetic and dielectric parameters of ferrites were determined by using vibrating sample magnetometer (VSM) and vector network analyzer (VNA) respectively. Magnetic parameters such as saturation magnetizations (Ms), coercive force (Hc), remnant magnetization (Mr), Yafet-Kittel (Y-K) angle of ferrites were determined from hysteresis loops. The variation of real permittivity (ε‧), dielectric loss tangent (tanδe), real permeability (μ‧) and magnetic loss tangent (tanδm) with frequency and Mg2+content were studied in X-band frequency range. The values of ε‧, tanδe, μ‧ and tanδm of ferrites were observed to be in range of 4.2 - 6.12, 2.9 × 10-1 - 6 × 10-2, 0.6 - 1.12 and 4.5 × 10-1 - 2 × 10-3 respectively for the prepared compositions. The study of variation of reflection loss with frequency of all ferrites shows that ferrite with magnesium content x = 0.4 can be potential candidate for microwave applications in X-band.

  14. Influence of anionic substitution on the electrolyte electroreflectance study of band edge transitions in single crystal Cu2ZnSn(SxSe1-x)4 solid solutions

    NASA Astrophysics Data System (ADS)

    Levcenco, S.; Dumcenco, D.; Wang, Y. P.; Huang, Y. S.; Ho, C. H.; Arushanov, E.; Tezlevan, V.; Tiong, K. K.

    2012-06-01

    Single crystals of Cu2ZnSn(SxSe1-x)4 (CZTSSe) solid solutions were grown by chemical vapor transport technique using iodine trichloride as a transport agent. As confirmed by X-ray investigations, the as-grown CZTSSe solid solutions are single phase and crystallized in kesterite structure. The lattice parameters of CZTSSe were determined and the S contents of the obtained crystals were estimated by Vegard's law. The composition dependent band gaps of CZTSSe solid solutions were studied by electrolyte electroreflectance (EER) measurements at room temperature. From a detailed lineshape fit of the EER spectra, the band gaps of CZTSSe were determined accurately and were found to decrease almost linearly with the increase of Se content, which agreed well with the recent theoretical first-principle calculations by S. Chen, A. Walsh, J.H. Yang, X.G. Gong, L. Sun, P. X. Yang, J.H. Chu, S.H. Wei, Phys. Rev. B 83 (2011) 125201 (5pp).

  15. Electronic structure of the (Nd{sub 1−x}Dy{sub x}){sub 2}Fe{sub 14}B (0 ≤ x ≤ 1) system studied by X-ray photoelectron spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Jing; Liang, Le; Yang, Bin

    2015-09-15

    Systematic characterization of electronic structures in the (Nd{sub 1−x}Dy{sub x}){sub 2}Fe{sub 14}B system, especially the 4f behavior, provides an insight to the physical nature of the evolution of magnetic properties. A series of X-ray photoelectron spectroscopy (XPS) core-level and valence-band spectra were used to study the electronic structures. It was found that substitution of Dy for Nd in Nd{sub 2}Fe{sub 14}B results in a nonlinear variation in the evolution of electronic structures. Only the finite coupling between the Nd 4f states and the Fe 3d states is found at both the Nd-rich regime and the Dy-rich regime. When the Dymore » concentration and the Nd concentration approach to be equal, a strong coupling between the Nd 4f states and the Fe 3d states is found, which results in a bonding state between them. Additionally, the 4f components in the (Nd{sub 1−x}Dy{sub x}){sub 2}Fe{sub 14}B system are ascribed to three parts: 1) the individual contribution of the Dy 4f states, which emerges just after the Dy-substitution; 2) the contribution of the coupling between the Nd 4f states and the Dy 4f states, which arises only when 0.4 ≤ x ≤ 0.6; 3) the associated contributions of the Nd 4f states and the Dy 4f states, where the contribution of the Nd 4f states and that of the Dy 4f states are prominent in the Nd-rich regime and Dy-rich regime, respectively.« less

  16. Surface soil moisture retrieval over a Mediterranean semi-arid region using X-band TerraSAR-X SAR data

    NASA Astrophysics Data System (ADS)

    Azza, Gorrab; Zribi, Mehrez; Baghdadi, Nicolas; Mougenot, Bernard; Boulet, Gilles; Lili-Chabaane, Zohra

    2015-04-01

    Mapping surface soil moisture with meter-scale spatial resolution is appropriate for multi- domains particularly hydrology and agronomy. It allows water resources and irrigation management decisions, drought monitoring and validation of multi-hydrological water balance models. In the last years, various studies have demonstrated the large potential of radar remote sensing data, mainly from C frequency band, to retrieve soil moisture. However, the accuracy of the soil moisture estimation, by inversing backscattering radar coefficients (σ°), is affected by the influence of surface roughness and vegetation biomass contributions. In recent years, different empirical, semi empirical and physical approaches are developed for bare soil conditions, to estimate accurately spatial soil moisture variability. In this study, we propose an approach based on the change detection method for the retrieval of surface soil moisture at a higher spatial resolution. The proposal algorithm combines multi-temporal X-band SAR images (TerraSAR-X) with different continuous thetaprobe measurements. Seven thetaprobe stations are installed at different depths over the central semi arid region of Tunisia (9°23' - 10°17' E, 35° 1'-35°55' N). They cover approximately the entire of our study site and provide regional scale information. Ground data were collected over agricultural bare soil fields simultaneously to various TerraSAR-X data acquired during 2013-2014 and 2014-2015. More than fourteen test fields were selected for each spatial acquisition campaign, with variations in soil texture and in surface soil roughness. For each date, we considered the volumetric water content with thetaprobe instrument and gravimetric sampling; we measured also the roughness parameters with pin profilor. To retrieve soil moisture from X-band SAR data, we analyzed statistically the sensitivity between radar measurements and ground soil moisture derived from permanent thetaprobe stations. Our analyses are

  17. First-principles study of electronic structure and Fermi surface in semimetallic YAs

    DOE PAGES

    Swatek, Przemys?aw Wojciech

    2018-03-23

    In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haas-van Alphen characteristics of the semimetallic YAs compound were studied using the all-electron full-potential linearized augmented-plane wave (FP–LAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalar-relativistic calculation, the cubic symmetry splits fivefold degenerate Y- d orbital into low-energy threefold-degenerate and twofold degenerate doublet states at point around the Fermi energy. Furthermore one of them, together with the threefold degenerate character of As-p orbital, render the YAs semimetal with a topologically trivial band ordermore » and fairly low density of states at the Fermi level. Including spin–orbit (SO) coupling into the calculation leads to pronounced splitting of the state and shifting the bands in the energy scale. Consequently, the determined four different 3-dimensional Fermi surface sheets of YAs consists of three concentric hole-like bands at and one ellipsoidal electron-like sheet centred at the X points. In full accordance with the previous first-principles calculations for isostructural YSb and YBi, the calculated Fermi surface of YAs originates from fairly compensated multi-band electronic structures.« less

  18. First-principles study of electronic structure and Fermi surface in semimetallic YAs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Swatek, Przemys?aw Wojciech

    In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haas-van Alphen characteristics of the semimetallic YAs compound were studied using the all-electron full-potential linearized augmented-plane wave (FP–LAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalar-relativistic calculation, the cubic symmetry splits fivefold degenerate Y- d orbital into low-energy threefold-degenerate and twofold degenerate doublet states at point around the Fermi energy. Furthermore one of them, together with the threefold degenerate character of As-p orbital, render the YAs semimetal with a topologically trivial band ordermore » and fairly low density of states at the Fermi level. Including spin–orbit (SO) coupling into the calculation leads to pronounced splitting of the state and shifting the bands in the energy scale. Consequently, the determined four different 3-dimensional Fermi surface sheets of YAs consists of three concentric hole-like bands at and one ellipsoidal electron-like sheet centred at the X points. In full accordance with the previous first-principles calculations for isostructural YSb and YBi, the calculated Fermi surface of YAs originates from fairly compensated multi-band electronic structures.« less

  19. Investigation of atomic-layer-deposited TiO x as selective electron and hole contacts to crystalline silicon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Matsui, Takuya; Bivour, Martin; Ndione, Paul F.

    Here, the applicability of atomic-layer-deposited titanium oxide (TiO x) thin films for the formation of carrier selective contacts to crystalline silicon (c-Si) is investigated. While relatively good electron selectivity was presented recently by other groups, we show that carrier selectivity can be engineered from electron to hole selective depending on the deposition conditions, post deposition annealing and the contact material covering the TiOx layer. For both the electron and hole contacts, an open-circuit voltage (Voc) of ~ >650 mV is obtained. The fact that the Voc is correlated with the (asymmetric) induced c-Si band bending suggests that carrier selectivity ismore » mainly governed by the effective work function and/or the fixed charge rather than by the asymmetric band offsets at the Si/TiOx interface, which provides important insight into the basic function of metal-oxide-based contact systems.« less

  20. Investigation of atomic-layer-deposited TiO x as selective electron and hole contacts to crystalline silicon

    DOE PAGES

    Matsui, Takuya; Bivour, Martin; Ndione, Paul F.; ...

    2017-09-21

    Here, the applicability of atomic-layer-deposited titanium oxide (TiO x) thin films for the formation of carrier selective contacts to crystalline silicon (c-Si) is investigated. While relatively good electron selectivity was presented recently by other groups, we show that carrier selectivity can be engineered from electron to hole selective depending on the deposition conditions, post deposition annealing and the contact material covering the TiOx layer. For both the electron and hole contacts, an open-circuit voltage (Voc) of ~ >650 mV is obtained. The fact that the Voc is correlated with the (asymmetric) induced c-Si band bending suggests that carrier selectivity ismore » mainly governed by the effective work function and/or the fixed charge rather than by the asymmetric band offsets at the Si/TiOx interface, which provides important insight into the basic function of metal-oxide-based contact systems.« less

  1. Experimental observation of incoherent-coherent crossover and orbital-dependent band renormalization in iron chalcogenide superconductors

    DOE PAGES

    Liu, Z. K.; Yi, M.; Zhang, Y.; ...

    2015-12-22

    The level of electronic correlation has been one of the key questions in understanding the nature of superconductivity. Among the iron-based superconductors, the iron chalcogenide family exhibits the strongest electron correlations. To gauge the correlation strength, we performed a systematic angle-resolved photoemission spectroscopy study on the iron chalcogenide series Fe 1+ySe xTe 1-x (0 < x < 0.59), a model system with the simplest structure. Our measurement reveals an incoherent-to-coherent crossover in the electronic structure as the selenium ratio increases and the system evolves from a weakly localized to a more itinerant state. Furthermore, we found that the effective massmore » of bands dominated by the d xy orbital character significantly decreases with increasing selenium ratio, as compared to the d xz/d yz orbital-dominated bands. The orbital-dependent change in the correlation level agrees with theoretical calculations on the band structure renormalization, and may help to understand the onset of superconductivity in Fe 1+ySe xTe 1-x.« less

  2. Evaluation of dual polarization scattering matrix radar rain backscatter measurements in the X- and Q-bands

    NASA Astrophysics Data System (ADS)

    Agrawal, A. P.; Carnegie, D. W.; Boerner, W.-M.

    This paper presents an evaluation of polarimetric rain backscatter measurements collected with coherent dual polarization radar systems in the X (8.9 GHz) and Q (45GHz) bands, the first being operated in a pulsed mode and the second being a FM-CW system. The polarimetric measurement data consisted for each band of fifty files of time-sequential scattering matrix measurements expressed in terms of a linear (H, V) antenna polarization state basis. The rain backscattering takes place in a rain cell defined by the beam widths and down range distances of 275 ft through 325 ft and the scattering matrices were measured far below the hydrometeoric scattering center decorrelation time so that ensemble averaging of time-sequential scattering matrices may be applied. In the data evaluation great care was taken in determining: (1) polarimetric Doppler velocities associated with the motion of descending oscillating raindrops and/or eddies within the moving swaths of coastal rain showers, and (2) also the properties of the associated co/cross-polarization rain clutter nulls and their distributions on the Poincare polarization sphere.

  3. Generation of double pulses at the Shanghai soft X-ray free electron laser facility

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Zhen; Feng, Chao; Gu, Qiang

    2017-01-28

    In this paper, we present the promise of a new method generating double electron pulses with the picosecond-scale pulse length and the tunable interpulse spacing at several picoseconds, which has been witnessed an impressive potential of application in pump-probe techniques, two-color X-ray free electron laser (FEL), high-gradient witness bunch acceleration in a plasma, etc. Three-dimensional simulations are carried out to analyze the dynamic of the electron beam in the linear accelerator. Some comparisons have been made between the new method and the existing ways as well.

  4. Back-bombardment compensation in microwave thermionic electron guns

    NASA Astrophysics Data System (ADS)

    Kowalczyk, Jeremy M. D.; Madey, John M. J.

    2014-12-01

    The development of capable, reliable, and cost-effective compact electron beam sources remains a long-standing objective of the efforts to develop the accelerator systems needed for on-site research and industrial applications ranging from electron beam welding to high performance x-ray and gamma ray light sources for element-resolved microanalysis and national security. The need in these applications for simplicity, reliability, and low cost has emphasized solutions compatible with the use of the long established and commercially available pulsed microwave rf sources and L-, S- or X-band linear accelerators. Thermionic microwave electron guns have proven to be one successful approach to the development of the electron sources for these systems providing high macropulse average current beams with picosecond pulse lengths and good emittance out to macropulse lengths of 4-5 microseconds. But longer macropulse lengths are now needed for use in inverse-Compton x-ray sources and other emerging applications. We describe in this paper our approach to extending the usable macropulse current and pulse length of these guns through the use of thermal diffusion to compensate for the increase in cathode surface temperature due to back-bombardment.

  5. Origin of band gap bowing in dilute GaAs1-xNx and GaP1-xNx alloys: A real-space view

    NASA Astrophysics Data System (ADS)

    Virkkala, Ville; Havu, Ville; Tuomisto, Filip; Puska, Martti J.

    2013-07-01

    The origin of the band gap bowing in dilute nitrogen doped gallium based III-V semiconductors is largely debated. In this paper we show the dilute GaAs1-xNx and GaP1-xNx as representative examples that the nitrogen-induced states close to the conduction band minimum propagate along the zigzag chains on the {110} planes. Thereby states originating from different N atoms interact with each other resulting in broadening of the nitrogen-induced states which narrows the band gap. Our modeling based on ab initio theoretical calculations explains the experimentally observed N concentration dependent band gap narrowing both qualitatively and quantitatively.

  6. Band crossing in isovalent semiconductor alloys with large size mismatch

    NASA Astrophysics Data System (ADS)

    Deng, Hui-Xiong; Wei, Su-Huai

    2012-02-01

    Mixing isovalent compounds AC with BC to form alloys A1-xBxC has been an effective way in band structure engineering to enhance the availability of material properties. In most cases, the mixed isovalent atoms A and B, such as Al and Ga in Al1-xGaxAs or As and Sb in GaAs1-xSbx are similar in their atomic sizes and chemical potentials; therefore, the physical properties of A1-xBxC change smoothly from AC to BC. However, in some cases when the chemical and size differences between the isovalent atoms A and B are large, adding a small amount of B to AC or vice versa can lead to a discontinuous change in the electronic band structure. These large size- and chemicalmismatched (LSCM) systems often show unusual and abrupt changes in the alloys' material properties, which provide great potential in material design for novel device applications. In this report, based on first-principles band-structure calculations we show that for LSCM GaAs1-xNx and GaAs1-xBix alloys at the impurity limit the N (Bi)-induced impurity level is above (below) the conduction-(valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.

  7. Correlation effects and electronic properties of Cr-substituted SZn with an intermediate band.

    PubMed

    Tablero, C

    2005-09-15

    A study using first principles of the electronic properties of S32Zn31Cr, a material derived from the SZn host semiconductor where a Cr atom has been substituted for each of the 32 Zn atoms, is presented. This material has an intermediate band sandwiched between the valence and conduction bands of the host semiconductor, which in a formal band-theoretic picture is metallic because the Fermi energy is located within the impurity band. The potential technological application of these materials is that when they are used to absorb photons in solar cells, the efficiency increases significantly with respect to the host semiconductor. An analysis of the gaps, bandwidths, density of states, total and orbital charges, and electronic density is carried out. The main effects of the local-density approximation with a Hubbard term corrections are an increase in the bandwidth, a modification of the relative composition of the five d and p transition-metal orbitals, and a splitting of the intermediate band. The results demonstrate that the main contribution to the intermediate band is the Cr atom. For values of U greater than 6 eV, where U is the empirical Hubbard term U parameter, this band is unfolded, thus creating two bands, a full one below the Fermi energy and an empty one above it, i.e., a metal-insulator transition.

  8. Lattice and Valence Electronic Structures of Crystalline Octahedral Molybdenum Halide Clusters-Based Compounds, Cs2[Mo6X14] (X = Cl, Br, I), Studied by Density Functional Theory Calculations.

    PubMed

    Saito, Norio; Cordier, Stéphane; Lemoine, Pierric; Ohsawa, Takeo; Wada, Yoshiki; Grasset, Fabien; Cross, Jeffrey S; Ohashi, Naoki

    2017-06-05

    The electronic and crystal structures of Cs 2 [Mo 6 X 14 ] (X = Cl, Br, I) cluster-based compounds were investigated by density functional theory (DFT) simulations and experimental methods such as powder X-ray diffraction, ultraviolet-visible spectroscopy, and X-ray photoemission spectroscopy (XPS). The experimentally determined lattice parameters were in good agreement with theoretically optimized ones, indicating the usefulness of DFT calculations for the structural investigation of these clusters. The calculated band gaps of these compounds reproduced those experimentally determined by UV-vis reflectance within an error of a few tenths of an eV. Core-level XPS and effective charge analyses indicated bonding states of the halogens changed according to their sites. The XPS valence spectra were fairly well reproduced by simulations based on the projected electron density of states weighted with cross sections of Al K α , suggesting that DFT calculations can predict the electronic properties of metal-cluster-based crystals with good accuracy.

  9. Electronic structure of scandium-doped MgB2

    NASA Astrophysics Data System (ADS)

    de La Peña, Omar; Agrestini, Stefano

    2005-03-01

    Recently has been reported the synthesis of a new superconducting alloy based on MgB2, where Mg is partially substituted with Sc. In order to analyze the effect of Sc doping on the structural and superconducting properties of Mg1-xScxB2, we have performed a detailed study of the electronic structure for this new diboride. The calculations have been done using the first-principles LAPW method, within the supercell approach for modeling the doping. In this work we report results for the electronic band structure, Fermi surface, and density of states. The effect of the Sc-d orbitals on the structural and electronic properties of Mg1-xScxB2 is analyzed. Increasing the Sc concentration (x) the σ-band is gradually filled, because Sc have one valence electron more than Mg. Interestingly, the analysis of the band structure shows that even for ScB2 the top of the σ-band remain above the Fermi level, nevertheless the σ-band presents high dispersion and has an important contribution of d states. In this way, in addition to the band filling effect, Sc doping gradually reduces the two-dimensional character of the σ- band in Mg1-xScxB2 as a result of increasing the sp(B)-d(Sc) hybridization. This research was partially supported by Consejo Nacional de Ciencia y Tecnolog'ia (CONACYT, M'exico) under Grant. No. 43830-F

  10. Assimilation of attenuated data from X-band network radars using ensemble Kalman filter

    NASA Astrophysics Data System (ADS)

    Cheng, Jing

    To use reflectivity data from X-band radars for quantitative precipitation estimation and storm-scale data assimilation, the effect of attenuation must be properly accounted for. Traditional approaches try to make correction to the attenuated reflectivity first before using the data. An alternative, theoretically more attractive approach builds the attenuation effect into the reflectivity observation operator of a data assimilation system, such as an ensemble Kalman filter (EnKF), allowing direct assimilation of the attenuated reflectivity and taking advantage of microphysical state estimation using EnKF methods for a potentially more accurate solution. This study first tests the approach for the CASA (Center for Collaborative Adaptive Sensing of the Atmosphere) X-band radar network configuration through observing system simulation experiments (OSSE) for a quasi-linear convective system (QLCS) that has more significant attenuation than isolated storms. To avoid the problem of potentially giving too much weight to fully attenuated reflectivity, an analytical, echo-intensity-dependent model for the observation error (AEM) is developed and is found to improve the performance of the filter. By building the attenuation into the forward observation operator and combining it with the application of AEM, the assimilation of attenuated CASA observations is able to produce a reasonably accurate analysis of the QLCS inside CASA radar network coverage. Compared with foregoing assimilation of radar data with weak radar reflectivity or assimilating only radial velocity data, our method can suppress the growth of spurious echoes while obtaining a more accurate analysis in the terms of root-mean-square (RMS) error. Sensitivity experiments are designed to examine the effectiveness of AEM by introducing multiple sources of observation errors into the simulated observations. The performance of such an approach in the presence of resolution-induced model error is also evaluated and

  11. A discussion on the use of X-band SAR images in marine applications

    NASA Astrophysics Data System (ADS)

    Schiavulli, D.; Sorrentino, A.; Migliaccio, M.

    2012-10-01

    The Synthetic Aperture Radar (SAR) is able to generate images of the sea surface that can be exploited to extract geophysical information of environmental interest. In order to enhance the operational use of these data in the marine applications the revisit time is to be improved. This goal can be achieved by using SAR virtual or real constellations and/or exploiting new antenna technologies that allow huge swath and fine resolution. Within this framework, the presence of the Italian and German X-band SAR constellations is of special interest while the new SAR technologies are not nowadays operated. Although SAR images are considered to be independent of weather conditions, this is only partially true at higher frequencies, e.g. X-band. In fact, observations can present signature corresponding to high intensity precipitating clouds, i.e. rain cells. Further, ScanSAR images may be characterized by the presence of processing artifacts, called scalloping, that corrupt image interpretation. In this paper we review these key facts that are at the basis of an effective use of X-band SAR images for marine applications.

  12. Correlation between electronic structure and electron conductivity in MoX2 (X = S, Se, and Te)

    NASA Astrophysics Data System (ADS)

    Muzakir, Saifful Kamaluddin

    2017-12-01

    Layered structure molybdenum dichalcogenides, MoX2 (X = S, Se, and Te) are in focus as reversible charge storage electrode for pseudocapacitor applications. Correlation between number of layer and bandgap of the materials has been established by previous researchers. The correlation would reveal a connection between the bandgap and charge storage properties i.e., amount of charges that could be stored, and speed of storage or dissociation. In this work, fundamental parameters viz., (i) size-offset between a monolayer and exciton Bohr radius of MoX2 and (ii) ground and excited state electron density have been studied. We have identified realistic monolayer models of MoX2 using quantum chemical calculations which explain a correlation between size-offset and charge storage properties. We conclude that as the size-offset decreases, the higher possibility of wave functions overlap between the excited state, and ground state electrons; therefore the higher the electron mobility, and conductivity of the MoX2 would be.

  13. Angular Distribution and Linear Polarization of X-ray Radiation Resulting from Electron Impact Excitation of Highly Charged Ions in Debye Plasmas

    NASA Astrophysics Data System (ADS)

    Chen, Zhanbin

    2018-05-01

    Plasma-screening effects on the 1s _{1/2} → 2l (l = s , p ) and 1s _{1/2} → 3d _{3/2} electron-impact excitation of highly charged ions are investigated, together with their subsequent radiative decay. The analysis is performed based on the multi-configuration Dirac-Fock method and the fully relativistic distorted-wave method incorporating the Debye-Hückel potential. To explore the nature of the effects, calculations are carried out based on detailed analyses of the integrated total and magnetic sublevel cross sections, the alignment parameters, the linear polarizations, and the angular distribution of the X-ray photoemission, as well as on corresponding data calculated in various Debye lengths/environments, taking the 2p _{3/2}→ 1s _{1/2} and 3d _{3/2}→ 1s _{1/2} characteristic lines of H-like Fe^{25+} ion as an example. The present results are compared with experimental data and other theoretical predictions where available.

  14. Linear absorptive dielectrics

    NASA Astrophysics Data System (ADS)

    Tip, A.

    1998-06-01

    Starting from Maxwell's equations for a linear, nonconducting, absorptive, and dispersive medium, characterized by the constitutive equations D(x,t)=ɛ1(x)E(x,t)+∫t-∞dsχ(x,t-s)E(x,s) and H(x,t)=B(x,t), a unitary time evolution and canonical formalism is obtained. Given the complex, coordinate, and frequency-dependent, electric permeability ɛ(x,ω), no further assumptions are made. The procedure leads to a proper definition of band gaps in the periodic case and a new continuity equation for energy flow. An S-matrix formalism for scattering from lossy objects is presented in full detail. A quantized version of the formalism is derived and applied to the generation of Čerenkov and transition radiation as well as atomic decay. The last case suggests a useful generalization of the density of states to the absorptive situation.

  15. Optical control of hard X-ray polarization by electron injection in a laser wakefield accelerator

    PubMed Central

    Schnell, Michael; Sävert, Alexander; Uschmann, Ingo; Reuter, Maria; Nicolai, Maria; Kämpfer, Tino; Landgraf, Björn; Jäckel, Oliver; Jansen, Oliver; Pukhov, Alexander; Kaluza, Malte Christoph; Spielmann, Christian

    2013-01-01

    Laser-plasma particle accelerators could provide more compact sources of high-energy radiation than conventional accelerators. Moreover, because they deliver radiation in femtosecond pulses, they could improve the time resolution of X-ray absorption techniques. Here we show that we can measure and control the polarization of ultra-short, broad-band keV photon pulses emitted from a laser-plasma-based betatron source. The electron trajectories and hence the polarization of the emitted X-rays are experimentally controlled by the pulse-front tilt of the driving laser pulses. Particle-in-cell simulations show that an asymmetric plasma wave can be driven by a tilted pulse front and a non-symmetric intensity distribution of the focal spot. Both lead to a notable off-axis electron injection followed by collective electron–betatron oscillations. We expect that our method for an all-optical steering is not only useful for plasma-based X-ray sources but also has significance for future laser-based particle accelerators. PMID:24026068

  16. Nitrogen-Induced Perturbation of the Valence Band States in GaP1-xNx Alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dudiy, S. V.; Zunger, A.; Felici, M.

    2006-01-01

    The effects of diluted nitrogen impurities on the valence- and conduction-band states of GaP{sub 1-x}N{sub x} have been predicted and measured experimentally. The calculation uses state-of-the-art atomistic modeling: we use large supercells with screened pseudopotentials and consider several random realizations of the nitrogen configurations. These calculations agree with photoluminescence excitation (PLE) measurements performed for nitrogen concentrations x up to 0.035 and photon energies up to 1 eV above the GaP optical-absorption edge, as well as with published ellipsometry data. In particular, a predicted nitrogen-induced buildup of the L character near the valence- and conduction-band edges accounts for the surprising broad-absorptionmore » plateau observed in PLE between the X{sub 1c} and the {Lambda}{sub 1c} critical points of GaP. Moreover, theory accounts quantitatively for the downward bowing of the indirect conduction-band edge and for the upward bowing of the direct transition with increasing nitrogen concentration. We review some of the controversies in the literature regarding the shifts in the conduction band with composition, and conclude that measured results at ultralow N concentration cannot be used to judge behavior at a higher concentration. In particular, we find that at the high concentrations of nitrogen studied here ({approx}1%) the conduction-band edge (CBE) is a hybridized state made from the original GaP X{sub 1c} band-edge state plus all cluster states. In this limit, the CBE plunges down in energy as the N concentration increases, in quantitative agreement with the measurements reported here. However, at ultralow nitrogen concentrations (<0.1%), the CBE is the nearly unperturbed host X{sub 1c}, which does not sense the nitrogen cluster levels. Thus, this state does not move energetically as nitrogen is added and stays pinned in energy, in agreement with experimental results.« less

  17. Wavefunction Properties and Electronic Band Structures of High-Mobility Semiconductor Nanosheet MoS2

    NASA Astrophysics Data System (ADS)

    Baik, Seung Su; Lee, Hee Sung; Im, Seongil; Choi, Hyoung Joon; Ccsaemp Team; Edl Team

    2014-03-01

    Molybdenum disulfide (MoS2) nanosheet is regarded as one of the most promising alternatives to the current semiconductors due to its significant band-gap and electron-mobility enhancement upon exfoliating. To elucidate such thickness-dependent properties, we have studied the electronic band structures of bulk and monolayer MoS2 by using the first-principles density-functional method as implemented in the SIESTA code. Based on the wavefunction analyses at the conduction band minimum (CBM) points, we have investigated possible origins of mobility difference between bulk and monolayer MoS2. We provide formation energies of substitutional impurities at the Mo and S sites, and discuss feasible electron sources which may induce a significant difference in the carrier lifetime. This work was supported by NRF of Korea (Grant Nos. 2009-0079462 and 2011-0018306), Nano-Material Technology Development Program (2012M3a7B4034985), and KISTI supercomputing center (Project No. KSC-2013-C3-008). Center for Computational Studies of Advanced Electronic Material Properties.

  18. Exotic X-ray Sources from Intermediate Energy Electron Beams

    NASA Astrophysics Data System (ADS)

    Chouffani, K.; Wells, D.; Harmon, F.; Jones, J. L.; Lancaster, G.

    2003-08-01

    High intensity x-ray beams are used in a wide variety of applications in solid-state physics, medicine, biology and material sciences. Synchrotron radiation (SR) is currently the primary, high-quality x-ray source that satisfies both brilliance and tunability. The high cost, large size and low x-ray energies of SR facilities, however, are serious limitations. Alternatively, "novel" x-ray sources are now possible due to new small linear accelerator (LINAC) technology, such as improved beam emittance, low background, sub-Picosecond beam pulses, high beam stability and higher repetition rate. These sources all stem from processes that produce Radiation from relativistic Electron beams in (crystalline) Periodic Structures (REPS), or the periodic "structure" of laser light. REPS x-ray sources are serious candidates for bright, compact, portable, monochromatic, and tunable x-ray sources with varying degrees of polarization and coherence. Despite the discovery and early research into these sources over the past 25 years, these sources are still in their infancy. Experimental and theoretical research are still urgently needed to answer fundamental questions about the practical and ultimate limits of their brightness, mono-chromaticity etc. We present experimental results and theoretical comparisons for three exotic REPS sources. These are Laser-Compton Scattering (LCS), Channeling Radiation (CR) and Parametric X-Radiation (PXR).

  19. Study the Effect of Substrate Temperature on Structural and Electrical Properties of Electron Beam Evaporated In{sub 1−x}Sb{sub x} Thin Films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rahul, E-mail: rhl.jaunpur@gmail, E-mail: srvfzb@rediffmail.com; Vishwakarma, S. R., E-mail: rhl.jaunpur@gmail, E-mail: srvfzb@rediffmail.com; Verma, Aneet Kumar, E-mail: rhl.jaunpur@gmail, E-mail: srvfzb@rediffmail.com

    2011-10-20

    Indium Antimonide (InSb) is a promising materials for mid and long wavelength infrared and high speed devices applications because of its small band gap. The Indium Antimonide (InSb) thin films have been deposited onto well cleaned glass substrate at different substrate temperatures (300 K, 323 K, 373 K) by electron beam evaporation technique in the high vacuum chamber at vacuum pressure ∼10{sup −5} torr using prepared non‐stoichiometric InSb powder using formula In{sub 1−x}Sb{sub x}(0.2

  20. X-ray photoemission study of NiS2-xSex (x=0.0 1.2)

    NASA Astrophysics Data System (ADS)

    Krishnakumar, S. R.; Sarma, D. D.

    2003-10-01

    Electronic structure of NiS2-xSex system has been investigated for various compositions (x) using x-ray photoemission spectroscopy. An analysis of the core-level as well as the valence-band spectra of NiS2 in conjunction with many-body cluster calculations provides a quantitative description of the electronic structure of this compound. With increasing Se content, the on-site Coulomb correlation strength (U) does not change, while the bandwidth W of the system increases, driving the system from a covalent insulating state to a pd-metallic state.

  1. Effect of temperature on In_{{\\varvec{x}}} Ga_{1-{{\\varvec{x}}}} As/GaAs quantum dots

    NASA Astrophysics Data System (ADS)

    Borji, Mahdi Ahmadi; Reyahi, Ali; Rajaei, Esfandiar; Ghahremani, Mohsen

    2017-08-01

    In this paper, the strain, band-edge, and energy levels of pyramidal In_x Ga_{1-x} As/GaAs quantum dots are investigated by 1-band effective mass approach. It is shown that while temperature has no remarkable effect on the strain tensor, the band gap lowers and the radiation wavelength elongates by increasing temperature. Also, band gap and energy do not linearly decrease by temperature rise. Our results appear to agree with former researches. This can be used in designing laser devices and sensors when applied in different working temperatures. Furthermore, when the device works for a long time, self-heating occurs which changes the characteristics of the output.

  2. Characterization of CaMn2O4 By X-Ray Magnetic Linear Dichroism

    NASA Astrophysics Data System (ADS)

    Holroyd, Johnathon; Bhatkar, Harshawardhan; Arenholz, Elke; White, Ben; Neumeier, John; Idzerda, Yves

    2008-05-01

    Perovskite manganite such as LaxCa(1-x)MnO3 (LCMO) have recently drawn attention for their useful electronic and magnetic properties such as Colossal Magnetoresistance. It has been shown that under stress, LCMO thin films show changes in La and Ca concentrations near the interface. One potential impurity under La depleted conditions is antiferromagnetic CaMn2O4. In order to better understand the range of properties available within LCMO systems, it is important to be able to identify and characterize CaMn2O4 within LCMO thin films. X-ray absorption spectroscopy (XAS) and X-ray magnetic linear dichroism (XMLD) are well suited to this task due to their element specificity, sensitivity, and ability to characterize the measure the magnetic properties of antiferromagnetic systems. XAS and XMLD were measured on high quality single crystals of CaMn2O4. These spectra are distinguished from CaMnO3 and demonstrate antiferromagnetic structure.

  3. High Peak Power Test and Evaluation of S-band Waveguide Switches

    NASA Astrophysics Data System (ADS)

    Nassiri, A.; Grelick, A.; Kustom, R. L.; White, M.

    1997-05-01

    The injector and source of particles for the Advanced Photon Source is a 2856-MHz S-band electron-positron linear accelerator (linac) which produces electrons with energies up to 650 MeV or positrons with energies up to 450 MeV. To improve the linac rf system availability, an additional modulator-klystron subsystem is being constructed to provide a switchable hot spare unit for each of the five exsisting S-band transmitters. The switching of the transmitters will require the use of SF6-pressurized S-band waveguide switches at a peak operating power of 35 MW. Such rf switches have been successfully operated at other accelerator facilities but at lower peak powers. A test stand has been set up at the Stanford Linear Accelerator Center (SLAC) Klystron Factory to conduct tests comparing the power handling characteristics of two WR-284 and one WR-340 switches. Test results are presented and their implications for the design of the switching system are discussed.

  4. Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation.

    PubMed

    Chirayath, V A; Callewaert, V; Fairchild, A J; Chrysler, M D; Gladen, R W; Mcdonald, A D; Imam, S K; Shastry, K; Koymen, A R; Saniz, R; Barbiellini, B; Rajeshwar, K; Partoens, B; Weiss, A H

    2017-07-13

    Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition.

  5. Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation

    PubMed Central

    Chirayath, V. A.; Callewaert, V.; Fairchild, A. J.; Chrysler, M. D.; Gladen, R. W.; Mcdonald, A. D.; Imam, S. K.; Shastry, K.; Koymen, A. R.; Saniz, R.; Barbiellini, B.; Rajeshwar, K.; Partoens, B.; Weiss, A. H.

    2017-01-01

    Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition. PMID:28703225

  6. Electrically detected magnetic resonance in a W-band microwave cavity

    NASA Astrophysics Data System (ADS)

    Lang, V.; Lo, C. C.; George, R. E.; Lyon, S. A.; Bokor, J.; Schenkel, T.; Ardavan, A.; Morton, J. J. L.

    2011-03-01

    We describe a low-temperature sample probe for the electrical detection of magnetic resonance in a resonant W-band (94 GHz) microwave cavity. The advantages of this approach are demonstrated by experiments on silicon field-effect transistors. A comparison with conventional low-frequency measurements at X-band (9.7 GHz) on the same devices reveals an up to 100-fold enhancement of the signal intensity. In addition, resonance lines that are unresolved at X-band are clearly separated in the W-band measurements. Electrically detected magnetic resonance at high magnetic fields and high microwave frequencies is therefore a very sensitive technique for studying electron spins with an enhanced spectral resolution and sensitivity.

  7. Sub-band gap photo-enhanced secondary electron emission from high-purity single-crystal chemical-vapor-deposited diamond

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yater, J. E., E-mail: joan.yater@nrl.navy.mil; Shaw, J. L.; Pate, B. B.

    2016-02-07

    Secondary-electron-emission (SEE) current measured from high-purity, single-crystal (100) chemical-vapor-deposited diamond is found to increase when sub-band gap (3.06 eV) photons are incident on the hydrogenated surface. Although the light does not produce photoemission directly, the SEE current increases by more than a factor of 2 before saturating with increasing laser power. In energy distribution curves (EDCs), the emission peak shows a corresponding increase in intensity with increasing laser power. However, the emission-onset energy in the EDCs remains constant, indicating that the bands are pinned at the surface. On the other hand, changes are observed on the high-energy side of the distributionmore » as the laser power increases, with a well-defined shoulder becoming more pronounced. From an analysis of this feature in the EDCs, it is deduced that upward band bending is present in the near-surface region during the SEE measurements and this band bending suppresses the SEE yield. However, sub-band gap photon illumination reduces the band bending and thereby increases the SEE current. Because the bands are pinned at the surface, we conclude that the changes in the band levels occur below the surface in the electron transport region. Sample heating produces similar effects as observed with sub-band gap photon illumination, namely, an increase in SEE current and a reduction in band bending. However, the upward band bending is not fully removed by either increasing laser power or temperature, and a minimum band bending of ∼0.8 eV is established in both cases. The sub-band gap photo-excitation mechanism is under further investigation, although it appears likely at present that defect or gap states play a role in the photo-enhanced SEE process. In the meantime, the study demonstrates the ability of visible light to modify the electronic properties of diamond and enhance the emission capabilities, which may have potential impact for diamond-based vacuum

  8. Understanding band gaps of solids in generalized Kohn-Sham theory.

    PubMed

    Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

    2017-03-14

    The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn-Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations.

  9. Understanding band gaps of solids in generalized Kohn–Sham theory

    PubMed Central

    Perdew, John P.; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K. U.; Scheffler, Matthias; Scuseria, Gustavo E.; Henderson, Thomas M.; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

    2017-01-01

    The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn–Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations. PMID:28265085

  10. Characterization of Melanin Radicals in Paraffin-embedded Malignant Melanoma and Nevus Pigmentosus Using X-band EPR and EPR Imaging.

    PubMed

    Nakagawa, Kouichi; Minakawa, Satoko; Sawamura, Daisuke; Hara, Hideyuki

    2017-01-01

    Continuous wave electron paramagnetic resonance (CW EPR) and X-band (9 GHz) EPR imaging (EPRI) were used to nondestructively investigate the possible differentiation between malignant melanoma (MM) and nevus pigmentosus (NP) melanin radicals in paraffin-embedded specimens. The EPR spectra of both samples were analyzed using linewidth, spectral pattern, and X-band EPRI. The CW-EPR spectra of the MM showed an additional signal overlap. Eumelanin- and pheomelanin-related radicals were observed in the MM specimens. The EPR results revealed that the peak-to-peak linewidths (ΔH pp ) of paraffin-embedded MM and NP samples were 0.65 ± 0.01 and 0.69 ± 0.01 mT, respectively. The g-value was 2.005 for both samples. Moreover, the two-dimensional (2D) EPRI of the MM showed different signal intensities at the different tumor stages, unlike the NP, which displayed fewer variations in signal intensity. Thus, the present results suggest that EPR and 2D EPRI can be useful for characterization of the two melanin radicals in the MM and for determination of their size and concentration.

  11. Electron and hole photoemission detection for band offset determination of tunnel field-effect transistor heterojunctions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Wei; Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing 100871; Zhang, Qin

    2014-11-24

    We report experimental methods to ascertain a complete energy band alignment of a broken-gap tunnel field-effect transistor based on an InAs/GaSb hetero-junction. By using graphene as an optically transparent electrode, both the electron and hole barrier heights at the InAs/GaSb interface can be quantified. For a Al{sub 2}O{sub 3}/InAs/GaSb layer structure, the barrier height from the top of the InAs and GaSb valence bands to the bottom of the Al{sub 2}O{sub 3} conduction band is inferred from electron emission whereas hole emissions reveal the barrier height from the top of the Al{sub 2}O{sub 3} valence band to the bottom ofmore » the InAs and GaSb conduction bands. Subsequently, the offset parameter at the broken gap InAs/GaSb interface is extracted and thus can be used to facilitate the development of predicted models of electron quantum tunneling efficiency and transistor performance.« less

  12. The design of a linear L-band high power amplifier for mobile communication satellites

    NASA Technical Reports Server (NTRS)

    Whittaker, N.; Brassard, G.; Li, E.; Goux, P.

    1990-01-01

    A linear L-band solid state high power amplifier designed for the space segment of the Mobile Satellite (MSAT) mobile communication system is described. The amplifier is capable of producing 35 watts of RF power with multitone signal at an efficiency of 25 percent and with intermodulation products better than 16 dB below carrier.

  13. Design and simulation of RF MEMS SPST shunt and SPDT shunt-shunt switches for X-band and Ku-band applications

    NASA Astrophysics Data System (ADS)

    Lenka, Manas K.; Sharma, Amit; Sharma, Jaibir; DasGupta, Amitava

    2012-10-01

    This paper describes the design and simulation of RF MEMS SPST shunt and SPDT shunt-shunt switches with modified coplanar waveguide (CPW) configuration for X-band and Ku-band applications exhibiting high isolation and low insertion loss. By modifying the basic CPW structure for a six-strip membrane having length 720 μm, the resonant frequency can be reduced from 33.5 GHz to 13.5 GHz with isolation as high as -30 dB(-63 dB at resonant frequency) in Ku-band. Similar results are also found in case SPST and SPDT switches with other membrane types.

  14. Atomic and electronic structure of Mo6S9-xIx nanowires

    NASA Astrophysics Data System (ADS)

    Meden, A.; Kodre, A.; Padeznik Gomilsek, J.; Arcon, I.; Vilfan, I.; Vrbanic, D.; Mrzel, A.; Mihailovic, D.

    2005-09-01

    Moybdenum-based subnanometre diameter nanowires are easy to synthesize and disperse, and they exhibit a variety of functional properties in which they are superior to other one-dimensional materials. However, further progress in the understanding of physical properties and the development of new and specific applications have so far been impeded by the fact that their structure was not accurately known. Here we report on a combination of systematic x-ray diffraction and extended x-ray absorption fine structure experiments, and first-principles theoretical structure calculations, which are used to determine the atomic skeletal structure of individual Mo6S9-xIx (MoSIx) nanowires, their packing arrangement within bundles and their electronic band structure. From this work we conclude that the variations in functional properties appear to arise from different stoichiometry, not skeletal structure. A supplementary data file is available from http://stacks.iop.org/0957-4484/16/1578

  15. Band structure and phonon properties of lithium fluoride at high pressure

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Panchal, J. M., E-mail: amitjignesh@yahoo.co.in; Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat; Joshi, Mitesh

    2016-05-23

    High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

  16. Non-toxic novel route synthesis and characterization of nanocrystalline ZnS{sub x}Se{sub 1−x} thin films with tunable band gap characteristics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Agawane, G.L., E-mail: agawaneganesh@gmail.com; Shin, Seung Wook; Vanalakar, S.A.

    2014-07-01

    Highlights: • A simple, inexpensive, and non-toxic CBD route is used to deposit ZnS thin films. • The ZnS{sub x}Se{sub 1−x} thin films formation takes place via annealing of ZnS thin films in Se atmosphere. • S/(S + Se) ratio found to be temperature dependent and easy tuning of band gap has been done by Se atom deposition. - Abstract: An environmentally benign chemical bath deposition (CBD) route was employed to deposit zinc sulfide (ZnS) thin films. The CBD-ZnS thin films were further selenized in a furnace at various temperatures viz. 200, 300, 400, and 500 °C and the S/(Smore » + Se) ratio was found to be dependent on the annealing temperature. The effects of S/(S + Se) ratio on the structural, compositional and optical properties of the ZnS{sub x}Se{sub 1−x} (ZnSSe) thin films were investigated. EDS analysis showed that the S/(S + Se) ratio decreased from 0.8 to 0.6 when the film annealing temperature increased from 200 to 500 °C. The field emission scanning electron microscopy and atomic force microscopy studies showed that all the films were uniform, pin hole free, smooth, and adhered well to the glass substrate. The X-ray diffraction study on the ZnSSe thin films showed the formation of the cubic phase, except for the unannealed ZnSSe thin film, which showed an amorphous phase. The X-ray photoelectron spectroscopy revealed Zn-S, Zn-Se, and insignificant Zn-OH bonds formation from the Zn 2p{sub 3/2}, S 2p, Se 3d{sub 5/2}, and O 1s atomic states, respectively. The ultraviolet–visible spectroscopy study showed ∼80% transmittance in the visible region for all the ZnSSe thin films having various absorption edges. The tuning of the band gap energy of the ZnSSe thin films was carried out by selenizing CBD-ZnS thin films, and as the S/(S + Se) ratio decreased from 0.8 to 0.6, the band gap energy decreased from 3.20 to 3.12 eV.« less

  17. Strength design of Zr(x)Ti(x)Hf(x)Nb(x)Mo(x) alloys based on empirical electron theory of solids and molecules

    NASA Astrophysics Data System (ADS)

    Li, Y. K.; Chen, Y. W.; Cheng, X. W.; Wu, C.; Cheng, B.

    2018-05-01

    In this paper, the valence electron structure parameters of Zr(x)Ti(x)Hf(x)Nb(x)Mo(x) alloys were calculated based on the empirical electron theory of solids and molecules (EET), and their performance through these parameters were predicted. Subsequently, the alloys with special valence electron structure parameters were prepared byarc melting. The hardness and high-temperature mechanical properties were analyzed to verify the prediction. Research shows that the influence of shared electron number nA on the strongest bond determines the strength of these alloys and the experiments are consistent with the theoretical prediction.

  18. Shear-band thickness and shear-band cavities in a Zr-based metallic glass

    DOE PAGES

    Liu, C.; Roddatis, V.; Kenesei, P.; ...

    2017-08-14

    Strain localization into shear bands in metallic glasses is typically described as a mechanism that occurs at the nano-scale, leaving behind a shear defect with a thickness of 10–20 nm. Here we sample the structure of a single system-spanning shear band that has carried all plastic flow with high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) and high-energy x-ray tomography (XRT). It is found that the shear-band thickness and the density change relative to the matrix sensitively depend on position along the shear band. A wide distribution of shear-band thickness (10 nm–210 nm) and density change (–1% to –12%)more » is revealed. There is no obvious correlation between shear-band thickness and density change, but larger thicknesses correspond typically to higher density changes. More than 100 micron-size shear-band cavities were identified on the shear-band plane, and their three-dimensional arrangement suggests a strongly fluctuating local curvature of the shear plane. As a result, these findings urge for a more complex view of a shear band than a simple nano-scale planar defect.« less

  19. Shear-band thickness and shear-band cavities in a Zr-based metallic glass

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, C.; Roddatis, V.; Kenesei, P.

    Strain localization into shear bands in metallic glasses is typically described as a mechanism that occurs at the nano-scale, leaving behind a shear defect with a thickness of 10–20 nm. Here we sample the structure of a single system-spanning shear band that has carried all plastic flow with high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) and high-energy x-ray tomography (XRT). It is found that the shear-band thickness and the density change relative to the matrix sensitively depend on position along the shear band. A wide distribution of shear-band thickness (10 nm–210 nm) and density change (–1% to –12%)more » is revealed. There is no obvious correlation between shear-band thickness and density change, but larger thicknesses correspond typically to higher density changes. More than 100 micron-size shear-band cavities were identified on the shear-band plane, and their three-dimensional arrangement suggests a strongly fluctuating local curvature of the shear plane. As a result, these findings urge for a more complex view of a shear band than a simple nano-scale planar defect.« less

  20. Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO2

    NASA Astrophysics Data System (ADS)

    Waterhouse, G. I. N.; Wahab, A. K.; Al-Oufi, M.; Jovic, V.; Anjum, D. H.; Sun-Waterhouse, D.; Llorca, J.; Idriss, H.

    2013-10-01

    Tuning the photonic band gap (PBG) to the electronic band gap (EBG) of Au/TiO2 catalysts resulted in considerable enhancement of the photocatalytic water splitting to hydrogen under direct sunlight. Au/TiO2 (PBG-357 nm) photocatalyst exhibited superior photocatalytic performance under both UV and sunlight compared to the Au/TiO2 (PBG-585 nm) photocatalyst and both are higher than Au/TiO2 without the 3 dimensionally ordered macro-porous structure materials. The very high photocatalytic activity is attributed to suppression of a fraction of electron-hole recombination route due to the co-incidence of the PBG with the EBG of TiO2 These materials that maintain their activity with very small amount of sacrificial agents (down to 0.5 vol.% of ethanol) are poised to find direct applications because of their high activity, low cost of the process, simplicity and stability.

  1. A common-aperture X- and S-band four-function feedcone. [hornfeed design for antennas of Deep Space Network

    NASA Technical Reports Server (NTRS)

    Withington, J. R.; Williams, W. F.

    1982-01-01

    Williams and Withington (1979) have considered a prototype X-S-band feedhorn which enabled simultaneous X- and S-band reception from a Cassegrain antenna. This feedhorn has quite successfully demonstrated an alternate method to the standard Deep Space Network (DSN) system of multiple subreflectors and dichroic plate for dual-band reception. In connection with a Network Consolidation Program, involving centralized control of existing antennas and construction of new reflector antennas, a second-generation feedhorn/combiner was conceived to show that this common-aperture feedhorn system was capable of performing all necessary functions the DSN would be called upon to perform with existing and future X-S-band spacecraft. Attention is given to the feedhorn concept, the combiner concept, the first and the second generation of the horn, Sand X-band tuning, and planned capabilities. The feedhorn greatly extends the state of the art in DSN performance and will enhance DSN capabilities in the future.

  2. ASSIGNMENT OF 5069 A DIFFUSE INTERSTELLAR BAND TO HC{sub 4}H{sup +}: DISAGREEMENT WITH LABORATORY ABSORPTION BAND

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Maier, J. P.; Chakrabarty, S.; Mazzotti, F. J.

    2011-03-10

    Krelowski et al. have reported a weak, diffuse interstellar band (DIB) at 5069 A which appears to match in both mid-wavelength and width the A {sup 2}{Pi}{sub u}-X {sup 2}{Pi}{sub g} gas-phase origin absorption band of HC{sub 4}H{sup +}. Here, we present laboratory rotational profiles at low temperatures which are then compared with the 5069 A DIB using {approx}0.1 and 0.3 A line widths based on a realistic line-of-sight interstellar velocity dispersion. Neither the band shape nor the wavelength of the maximum absorption match, which makes the association of the 5069 A DIB with HC{sub 4}H{sup +} unlikely. The magneticmore » dipole transition X {sup 2}{Pi}{sub g} {Omega} = 1/2{yields}X {sup 2}{Pi}{sub g} {Omega} = 3/2 within the ground electronic state which competes with collisional excitation is also considered. In addition, we present the laboratory gas-phase spectrum of the A {sup 2}{Pi}{sub u}-X {sup 2}{Pi}{sub g} transition of HC{sub 4}H{sup +} measured at 25 K in an ion trap and identify further absorption bands at shorter wavelengths for comparison with future DIB data.« less

  3. Design of a dual linear polarization antenna using split ring resonators at X-band

    NASA Astrophysics Data System (ADS)

    Ahmed, Sadiq; Chandra, Madhukar

    2017-11-01

    Dual linear polarization microstrip antenna configurations are very suitable for high-performance satellites, wireless communication and radar applications. This paper presents a new method to improve the co-cross polarization discrimination (XPD) for dual linear polarized microstrip antennas at 10 GHz. For this, three various configurations of a dual linear polarization antenna utilizing metamaterial unit cells are shown. In the first layout, the microstrip patch antenna is loaded with two pairs of spiral ring resonators, in the second model, a split ring resonator is placed between two microstrip feed lines, and in the third design, a complementary split ring resonators are etched in the ground plane. This work has two primary goals: the first is related to the addition of metamaterial unit cells to the antenna structure which permits compensation for an asymmetric current distribution flow on the microstrip antenna and thus yields a symmetrical current distribution on it. This compensation leads to an important enhancement in the XPD in comparison to a conventional dual linear polarized microstrip patch antenna. The simulation reveals an improvement of 7.9, 8.8, and 4 dB in the E and H planes for the three designs, respectively, in the XPD as compared to the conventional dual linear polarized patch antenna. The second objective of this paper is to present the characteristics and performances of the designs of the spiral ring resonator (S-RR), split ring resonator (SRR), and complementary split ring resonator (CSRR) metamaterial unit cells. The simulations are evaluated using the commercial full-wave simulator, Ansoft High-Frequency Structure Simulator (HFSS).

  4. Compact double-bunch x-ray free electron lasers for fresh bunch self-seeding and harmonic lasing

    DOE PAGES

    Emma, C.; Feng, Y.; Nguyen, D. C.; ...

    2017-03-03

    This study presents a novel method to improve the longitudinal coherence, efficiency and maximum photon energy of x-ray free electron lasers (XFELs). The method is equivalent to having two separate concatenated XFELs. The first uses one bunch of electrons to reach the saturation regime, generating a high power self-amplified spontaneous emission x-ray pulse at the fundamental and third harmonic. The x-ray pulse is filtered through an attenuator/monochromator and seeds a different electron bunch in the second FEL, using the fundamental and/or third harmonic as an input signal. In our method we combine the two XFELs operating with two bunches, separatedmore » by one or more rf cycles, in the same linear accelerator. We discuss the advantages and applications of the proposed system for present and future XFELs.« less

  5. Electronic structure of LiGaS 2

    NASA Astrophysics Data System (ADS)

    Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Lobanov, S.; Huang, H.; Lin, Z. S.

    2009-04-01

    X-ray photoelectron spectroscopy (XPS) measurement has been performed to determine the valence band structure of LiGaS 2 crystals. The experimental measurement is compared with the electronic structure obtained from the density functional calculations. It is found that the Ga 3d states in the XPS spectrum are much higher than the calculated results. In order to eliminate this discrepancy, the LDA+ U method is employed and reasonable agreement is achieved. Further calculations show that the difference of the linear and nonlinear optical coefficients between LDA and LDA+ U calculations is negligibly small, indicating that the Ga 3d states are actually independent of the excited properties of LiGaS 2 crystals since they are located at a very deep position in the valence bands.

  6. X-ray tube with magnetic electron steering

    DOEpatents

    Reed, Kim W.; Turman, Bobby N.; Kaye, Ronald J.; Schneider, Larry X.

    2000-01-01

    An X-ray tube uses a magnetic field to steer electrons. The magnetic field urges electrons toward the anode, increasing the proportion of electrons emitted from the cathode that reach desired portions of the anode and consequently contribute to X-ray production. The magnetic field also urges electrons reflected from the anode back to the anode, further increasing the efficiency of the tube.

  7. Comparative analysis of the effects of tantalum doping and annealing on atomic layer deposited (Ta2O5)x(Al2O3)1-x as potential gate dielectrics for GaN/AlxGa1-xN/GaN high electron mobility transistors

    NASA Astrophysics Data System (ADS)

    Partida-Manzanera, T.; Roberts, J. W.; Bhat, T. N.; Zhang, Z.; Tan, H. R.; Dolmanan, S. B.; Sedghi, N.; Tripathy, S.; Potter, R. J.

    2016-01-01

    This paper describes a method to optimally combine wide band gap Al2O3 with high dielectric constant (high-κ) Ta2O5 for gate dielectric applications. (Ta2O5)x(Al2O3)1-x thin films deposited by thermal atomic layer deposition (ALD) on GaN-capped AlxGa1-xN/GaN high electron mobility transistor (HEMT) structures have been studied as a function of the Ta2O5 molar fraction. X-ray photoelectron spectroscopy shows that the bandgap of the oxide films linearly decreases from 6.5 eV for pure Al2O3 to 4.6 eV for pure Ta2O5. The dielectric constant calculated from capacitance-voltage measurements also increases linearly from 7.8 for Al2O3 up to 25.6 for Ta2O5. The effect of post-deposition annealing in N2 at 600 °C on the interfacial properties of undoped Al2O3 and Ta-doped (Ta2O5)0.12(Al2O3)0.88 films grown on GaN-HEMTs has been investigated. These conditions are analogous to the conditions used for source/drain contact formation in gate-first HEMT technology. A reduction of the Ga-O to Ga-N bond ratios at the oxide/HEMT interfaces is observed after annealing, which is attributed to a reduction of interstitial oxygen-related defects. As a result, the conduction band offsets (CBOs) of the Al2O3/GaN-HEMT and (Ta2O5)0.16(Al2O3)0.84/GaN-HEMT samples increased by ˜1.1 eV to 2.8 eV and 2.6 eV, respectively, which is advantageous for n-type HEMTs. The results demonstrate that ALD of Ta-doped Al2O3 can be used to control the properties of the gate dielectric, allowing the κ-value to be increased, while still maintaining a sufficient CBO to the GaN-HEMT structure for low leakage currents.

  8. First principle study of electronic nanoscale structure of In x Ga1- x P with variable size, shape and alloying percentage

    NASA Astrophysics Data System (ADS)

    Hussein, M. T.; Kasim, T.; Abdulsattar, M. A.

    2013-11-01

    In present work, we investigate electronic properties of alloying percentage of In x Ga1- x P compound with different sizes of superlattice large unit cell (LUC) method with 8, 16, 54, and 64 nanocrystals core atoms. The size and type of alloying compound are varied so that it can be tuned to a required application. To determine properties of indium gallium phosphide nanocrystals density functional theory at the generalized-gradient approximation level coupled with LUC method is used to simulate electronic structure of zinc blende indium gallium phosphide nanocrystals that have dimensions around 2-2.8 nm. The calculated properties include lattice constant, energy gap, valence band width, cohesive energy, density of states (DOS) etc. Results show that laws that are applied at microscale alloying percentage are no more applicable at the present nanoscale. Results also show that size, shape and quantum effects are strong. Many properties fluctuate at nanoscale while others converge to definite values. DOS summarizes many of the above quantities.

  9. Investigations of optical and thermoelectric response of direct band gap Ca3XO (X = Si, Ge) anti-perovskites stabilized in cubic and orthorhombic phases

    NASA Astrophysics Data System (ADS)

    Mahmood, Q.; Ashraf, A.; Hassan, M.

    2018-02-01

    We predict the phase dependent electronic properties for elaborating the optical and thermoelectric behaviors of both cubic (Pm-3m) and orthorhombic (Pbnm) Ca3XO (X = Si, Ge) antiperovskites using first-principles density functional theory (DFT) computations. The mBJ functional is employed for computing the most accurate electronic characteristics. A direct band gap semiconducting nature has been found appearing due to hybridization between O and Si/Ge p-states. The calculated band gaps lying in the infrared energy region suggest that the studied anti-perovskites can absorb visible and ultraviolet energy revealing potential optoelectronics device applications. Moreover, the important thermoelectric parameters are computed for illustrating the potential thermoelectric applications. Hence, the studied anti-perovskites can simultaneously exhibit various flexible material properties, which reveal their worth for the devices demonstrating versatile characteristics.

  10. Thermoluminescence study of X-ray and UV irradiated natural calcite and analysis of its trap and recombination level.

    PubMed

    Kalita, J M; Wary, G

    2014-05-05

    Thermoluminescence (TL) of natural light-orange color calcite (CaCO3) mineral in micro-grain powder form was studied at room temperature X-ray and UV irradiation under various irradiation times. TL was recorded in linear heating rate (2 K/s) from room temperature (300 K) to 523 K. Trapping parameters such as activation energy, order of kinetics, frequency factor have been evaluated by Computerized Glow Curve Deconvolution technique. Three electron trap centers had been estimated at depth 0.70, 1.30 and 1.49 eV from the conduction band. Investigation of emission spectra recorded at various temperatures showed single recombination center at depth 2.74 eV from the conduction band. Due to thermally assisted tunneling of electron and subsequent center-to-center recombination, a distinct peak of lower activation energy (0.60 eV) was observed at relatively higher temperature (~360 K) for X-ray irradiated sample. In UV excitation, there was an indication of photo-transfer phenomenon, where low TL intensity might have been observed; but due to simultaneous excitation of electrons from valence band to the trap level, TL intensity was found to increase with UV irradiation time. The results obtained within temperature range 300-523 K were explained by considering a band diagram. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. Study of electron-related intersubband optical properties in three coupled quantum wells wires with triangular transversal section

    NASA Astrophysics Data System (ADS)

    Tiutiunnyk, A.; Tulupenko, V.; Akimov, V.; Demediuk, R.; Morales, A. L.; Mora-Ramos, M. E.; Radu, A.; Duque, C. A.

    2015-11-01

    This work concerns theoretical study of confined electrons in a low-dimensional structure consisting of three coupled triangular GaAs/AlxGa1-xAs quantum wires. Calculations have been made in the effective mass and parabolic band approximations. In the calculations a diagonalization method to find the eigenfunctions and eigenvalues of the Hamiltonian was used. A comparative analysis of linear and nonlinear optical absorption coefficients and the relative change in the refractive index was made, which is tied to the intersubband electron transitions.

  12. Modeling of Noise and Resistance of Semimetal Hg1-xCdxTe Quantum Well used as a Channel for THz Hot-Electron Bolometer.

    PubMed

    Melezhik, E O; Gumenjuk-Sichevska, J V; Sizov, F F

    2016-12-01

    Noise characteristics and resistance of semimetal-type mercury-cadmium-telluride quantum wells (QWs) at the liquid nitrogen temperature are studied numerically, and their dependence on the QW parameters and on the electron concentration is established. The QW band structure calculations are based on the full 8-band k.p Hamiltonian. The electron mobility is simulated by the direct iterative solution of the Boltzmann transport equation, which allows us to include correctly all the principal scattering mechanisms, elastic as well as inelastic.We find that the generation-recombination noise is strongly suppressed due to the very fast recombination processes in semimetal QWs. Hence, the thermal noise should be considered as a main THz sensitivity-limiting mechanism in those structures. Optimization of a semimetal Hg1-xCdxTe QW to make it an efficient THz bolometer channel should include the increase of electron concentration in the well and tuning the molar composition x close to the gapless regime.

  13. To bend or not to bend: electronic structural analysis of linear versus bent M-H-M interactions in dinickel bis(dialkylphosphino)methane complexes.

    PubMed

    Wilson, Zakiya S; Stanley, George G; Vicic, David A

    2010-06-21

    The M-H-M bonding in the dinuclear complexes Ni(2)(mu-H)(mu-P(2))(2)X(2) (P(2) = R(2)PCH(2)PR(2), R = iPr, Cy; X = Cl, Br) has been investigated. These dinickel A-frames were studied via density functional theory (DFT) calculations to analyze the factors that influence linear and bent M-H-M bonding. The DFT calculations indicate that the bent geometry is favored electronically, with ligand steric effects driving the formation of the linear M-H-M structures.

  14. X-ray Free-electron Lasers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Feldhaus, J.; /DESY; Arthur, J.

    In a free-electron laser (FEL) the lasing medium is a high-energy beam of electrons flying with relativistic speed through a periodic magnetic field. The interaction between the synchrotron radiation that is produced and the electrons in the beam induces a periodic bunching of the electrons, greatly increasing the intensity of radiation produced at a particular wavelength. Depending only on a phase match between the electron energy and the magnetic period, the wavelength of the FEL radiation can be continuously tuned within a wide spectral range. The FEL concept can be adapted to produce radiation wavelengths from millimeters to Angstroms, andmore » can in principle produce hard x-ray beams with unprecedented peak brightness, exceeding that of the brightest synchrotron source by ten orders of magnitude or more. This paper focuses on short-wavelength FELs. It reviews the physics and characteristic properties of single-pass FELs, as well as current technical developments aiming for fully coherent x-ray radiation pulses with pulse durations in the 100 fs to 100 as range. First experimental results at wavelengths around 100 nm and examples of scientific applications planned on the new, emerging x-ray FEL facilities are presented.« less

  15. A parameterization scheme for the x-ray linear attenuation coefficient and energy absorption coefficient.

    PubMed

    Midgley, S M

    2004-01-21

    A novel parameterization of x-ray interaction cross-sections is developed, and employed to describe the x-ray linear attenuation coefficient and mass energy absorption coefficient for both elements and mixtures. The new parameterization scheme addresses the Z-dependence of elemental cross-sections (per electron) using a simple function of atomic number, Z. This obviates the need for a complicated mathematical formalism. Energy dependent coefficients describe the Z-direction curvature of the cross-sections. The composition dependent quantities are the electron density and statistical moments describing the elemental distribution. We show that it is possible to describe elemental cross-sections for the entire periodic table and at energies above the K-edge (from 6 keV to 125 MeV), with an accuracy of better than 2% using a parameterization containing not more than five coefficients. For the biologically important elements 1 < or = Z < or = 20, and the energy range 30-150 keV, the parameterization utilizes four coefficients. At higher energies, the parameterization uses fewer coefficients with only two coefficients needed at megavoltage energies.

  16. Mitigation of Hot Electrons from Laser-Plasma Instabilities in Laser-Generated X-Ray Sources

    NASA Astrophysics Data System (ADS)

    Fein, Jeffrey R.

    This thesis describes experiments to understand and mitigate energetic or "hot" electrons from laser-plasma instabilities (LPIs) in an effort to improve radiographic techniques using laser-generated x-ray sources. Initial experiments on the OMEGA-60 laser show evidence of an underlying background generated by x-rays with energies over 10 keV on radiographs using backlit pinhole radiography, whose source is consistent with hard x-rays from LPI-generated hot electrons. Mitigating this background can dramatically reduce uncertainties in measured object densities from radiographs and may be achieved by eliminating the target components in which LPIs are most likely to grow. Experiments were performed on the OMEGA-EP laser to study hot electron production from laser-plasma instabilities in high-Z plasmas relevant to laser-generated x-ray sources. Measurements of hard x-rays show a dramatic reduction in hot-electron energy going from low-Z CH to high-Z Au targets, in a manner that is consistent with steepening electron density profiles that were also measured. The profile-steepening, we infer, increased thresholds of LPIs and contributed to the reduced hot-electron production at higher Z. Possible mechanisms for generating hot electrons include the two-plasmon decay and stimulated Raman scattering instabilities driven by multiple laser beams. Radiation hydrodynamic simulations using the CRASH code predict that both of these instabilities were above threshold with linear threshold parameters that decreased with increasing Z due to steepening length-scales, as well as enhanced laser absorption and increased collisional and Landau damping of electron plasma waves. Another set of experiments were performed on the OMEGA-60 laser to test whether hard x-ray background could be mitigated in backlit pinhole imagers by controlling laser-plasma instabilities. Based on the results above, we hypothesized that LPIs and hot electrons that lead to hard x-ray background would be reduced

  17. Synthesis, characterization and chemical stability of silicon dichalcogenides, Si(Se xS 1₋x) 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, Chen; Zhang, Xiaotian; Krishna, Lakshmi

    Silicon dichalcogenides have an intriguing crystal structure consisting of long tetrahedral chains held together by van der Waals forces but the electronic and optical properties have been less explored. In the present work, bulk SiSe 2, SiS 2, and Si(Se xS 1-x) 2 were synthesized by the congruent melt growth method and characterized by Raman spectroscopy, X-ray Diffraction and UV/visible/IR transmission measurements supported by first-principles calculations. First-principles calculations reveal a nearly linear decrease of band gap energy in Si(Se xS 1-x) 2 with increasing Se content, i.e., from SiS 2 to SiSe 2 which corresponds with a blue-shift in themore » transmission spectra from bulk SiSe 2 to Si(Se 0.6S 0.4) 2, and to SiS 2. Air stability tests demonstrate the formation of toxic H 2Se/H 2S gas from sample oxidation at room temperature upon exposure to ambient air, and great care should be paid when handling these materials.« less

  18. Ultraviolet laser transverse profile shaping for improving x-ray free electron laser performance

    DOE PAGES

    Li, S.; Alverson, S.; Bohler, D.; ...

    2017-08-17

    The photocathode rf gun is one of the most critical components in x-ray free electron lasers. The drive laser strikes the photocathode surface, which emits electrons with properties that depend on the shape of the drive laser. Most free electron lasers use photocathodes with work function in the ultraviolet, a wavelength where direct laser manipulation becomes challenging. In this paper, we present a novel application of a digital micromirror device (DMD) for the 253 nm drive laser at the Linear Coherent Light Source. Laser profile shaping is accomplished through an iterative algorithm that takes into account shaping error and efficiency.more » Next, we use laser shaping to control the X-ray laser output via an online optimizer, which shows improvement in FEL pulse energy. Lastly, as a preparation for electron beam shaping, we use the DMD to measure the photocathode quantum efficiency across cathode surface with an averaged laser rms spot size of 59 μm. In conclusion, our experiments demonstrate promising outlook of using DMD to shape ultraviolet lasers for photocathode rf guns with various applications.« less

  19. Ultraviolet laser transverse profile shaping for improving x-ray free electron laser performance

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, S.; Alverson, S.; Bohler, D.

    The photocathode rf gun is one of the most critical components in x-ray free electron lasers. The drive laser strikes the photocathode surface, which emits electrons with properties that depend on the shape of the drive laser. Most free electron lasers use photocathodes with work function in the ultraviolet, a wavelength where direct laser manipulation becomes challenging. In this paper, we present a novel application of a digital micromirror device (DMD) for the 253 nm drive laser at the Linear Coherent Light Source. Laser profile shaping is accomplished through an iterative algorithm that takes into account shaping error and efficiency.more » Next, we use laser shaping to control the X-ray laser output via an online optimizer, which shows improvement in FEL pulse energy. Lastly, as a preparation for electron beam shaping, we use the DMD to measure the photocathode quantum efficiency across cathode surface with an averaged laser rms spot size of 59 μm. In conclusion, our experiments demonstrate promising outlook of using DMD to shape ultraviolet lasers for photocathode rf guns with various applications.« less

  20. Ultraviolet laser transverse profile shaping for improving x-ray free electron laser performance

    NASA Astrophysics Data System (ADS)

    Li, S.; Alverson, S.; Bohler, D.; Egger, A.; Fry, A.; Gilevich, S.; Huang, Z.; Miahnahri, A.; Ratner, D.; Robinson, J.; Zhou, F.

    2017-08-01

    The photocathode rf gun is one of the most critical components in x-ray free electron lasers. The drive laser strikes the photocathode surface, which emits electrons with properties that depend on the shape of the drive laser. Most free electron lasers use photocathodes with work function in the ultraviolet, a wavelength where direct laser manipulation becomes challenging. In this paper, we present a novel application of a digital micromirror device (DMD) for the 253 nm drive laser at the Linear Coherent Light Source. Laser profile shaping is accomplished through an iterative algorithm that takes into account shaping error and efficiency. Next, we use laser shaping to control the X-ray laser output via an online optimizer, which shows improvement in FEL pulse energy. Lastly, as a preparation for electron beam shaping, we use the DMD to measure the photocathode quantum efficiency across cathode surface with an averaged laser rms spot size of 59 μ m . Our experiments demonstrate promising outlook of using DMD to shape ultraviolet lasers for photocathode rf guns with various applications.