The 5K70SK automatically tuned, high power, S-band klystron

NASA Technical Reports Server (NTRS)

Goldfinger, A.

1977-01-01

Primary objectives include delivery of 44 5K70SK klystron amplifier tubes and 26 remote tuner assemblies with spare parts kits. Results of a reliability demonstration on a klystron test cavity are discussed, along with reliability tests performed on a remote tuning unit. Production problems and one design modification are reported and discussed. Results of PAT and DVT are included.

Design of a Ku band miniature multiple beam klystron

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

Bandyopadhyay, Ayan Kumar, E-mail: ayan.bandyopadhyay@gmail.com; Pal, Debasish; Kant, Deepender

2016-03-09

The design of a miniature multiple beam klystron (MBK) working in the Ku-band frequency range is presented in this article. Starting from the main design parameters, design of the electron gun, the input and output couplers and radio frequency section (RF-section) are presented. The design methodology using state of the art commercial electromagnetic design tools, analytical formulae as well as noncommercial design tools are briefly presented in this article.

Direct band gap measurement of Cu(In,Ga)(Se,S){sub 2} thin films using high-resolution reflection electron energy loss spectroscopy

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

Heo, Sung; College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746; Lee, Hyung-Ik

2015-06-29

To investigate the band gap profile of Cu(In{sub 1−x},Ga{sub x})(Se{sub 1−y}S{sub y}){sub 2} of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respectmore » to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth.« less

A high efficiency Ku-band radial line relativistic klystron amplifier

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

Dang, Fangchao; Zhang, Xiaoping, E-mail: zhangxiaoping@nudt.edu.cn; Zhong, Huihuang

2016-07-15

To achieve the gigawatt-level microwave amplification output at Ku-band, a radial-line relativistic klystron amplifier is proposed and investigated in this paper. Different from the annular electron beam in conventional axial relativistic klystron amplifiers, a radial-radiated electron beam is employed in this proposed klystron. Owing to its radially spreading speciality, the electron density and space charge effect are markedly weakened during the propagation in the radial line drift tube. Additionally, the power capacity, especially in the output cavity, is enhanced significantly because of its large volume, which is profitable for the long pulse operation. Particle-in-cell simulation results demonstrate that a highmore » power microwave with the power of 3 GW and the frequency of 14.25 GHz is generated with a 500 kV, 12 kA electron beam excitation and the 30 kW radio-frequency signal injection. The power conversion efficiency is 50%, and the gain is about 50 dB. Meanwhile, there is insignificant electron beam self-excitation in the proposed structure by the adoption of two transverse electromagnetic reflectors. The relative phase difference between the injected signals and output microwaves keeps stable after the amplifier saturates.« less

Large-Signal Klystron Simulations Using KLSC

NASA Astrophysics Data System (ADS)

Carlsten, B. E.; Ferguson, P.

1997-05-01

We describe a new, 2-1/2 dimensional, klystron-simulation code, KLSC. This code has a sophisticated input cavity model for calculating the klystron gain with arbitrary input cavity matching and tuning, and is capable of modeling coupled output cavities. We will discuss the input and output cavity models, and present simulation results from a high-power, S-band design. We will use these results to explore tuning issues with coupled output cavities.

Relating the defect band gap and the density functional band gap

NASA Astrophysics Data System (ADS)

Schultz, Peter; Edwards, Arthur

2014-03-01

Density functional theory (DFT) is an important tool to probe the physics of materials. The Kohn-Sham (KS) gap in DFT is typically (much) smaller than the observed band gap for materials in nature, the infamous ``band gap problem.'' Accurate prediction of defect energy levels is often claimed to be a casualty--the band gap defines the energy scale for defect levels. By applying rigorous control of boundary conditions in size-converged supercell calculations, however, we compute defect levels in Si and GaAs with accuracies of ~0.1 eV, across the full gap, unhampered by a band gap problem. Using GaAs as a theoretical laboratory, we show that the defect band gap--the span of computed defect levels--is insensitive to variations in the KS gap (with functional and pseudopotential), these KS gaps ranging from 0.1 to 1.1 eV. The defect gap matches the experimental 1.52 eV gap. The computed defect gaps for several other III-V, II-VI, I-VII, and other compounds also agree with the experimental gap, and show no correlation with the KS gap. Where, then, is the band gap problem? This talk presents these results, discusses why the defect gap and the KS gap are distinct, implying that current understanding of what the ``band gap problem'' means--and how to ``fix'' it--need to be rethought. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's NNSA under contract DE-AC04-94AL85000.

A possible pole problem in the formula for klystron gap fields

NASA Technical Reports Server (NTRS)

Kosmahl, H. G.

1977-01-01

In isolated cases a pole may be encountered in a previously published solution for the fields in a klystron gap. Formulas, permitting the critical combinations of parameters to be defined, are presented. It is noted that the region of inaccuracy surrounding the pole is sufficiently small and that a 0.1% change in the field changing parameter is enough to avoid it.

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

Study of nonlinear interaction between bunched beam and intermediate cavities in a relativistic klystron amplifier

NASA Astrophysics Data System (ADS)

Wu, Y.; Xu, Z.; Li, Z. H.; Tang, C. X.

2012-07-01

In intermediate cavities of a relativistic klystron amplifier (RKA) driven by intense relativistic electron beam, the equivalent circuit model, which is widely adopted to investigate the interaction between bunched beam and the intermediate cavity in a conventional klystron design, is invalid due to the high gap voltage and the nonlinear beam loading in a RKA. According to Maxwell equations and Lorentz equation, the self-consistent equations for beam-wave interaction in the intermediate cavity are introduced to study the nonlinear interaction between bunched beam and the intermediate cavity in a RKA. Based on the equations, the effects of modulation depth and modulation frequency of the beam on the gap voltage amplitude and its phase are obtained. It is shown that the gap voltage is significantly lower than that estimated by the equivalent circuit model when the beam modulation is high. And the bandwidth becomes wider as the beam modulation depth increases. An S-band high gain relativistic klystron amplifier is designed based on the result. And the corresponding experiment is carried out on the linear transformer driver accelerator. The peak output power has achieved 1.2 GW with an efficiency of 28.6% and a gain of 46 dB in the corresponding experiment.

Code TESLA for Modeling and Design of High-Power High-Efficiency Klystrons

DTIC Science & Technology

2011-03-01

CODE TESLA FOR MODELING AND DESIGN OF HIGH - POWER HIGH -EFFICIENCY KLYSTRONS * I.A. Chernyavskiy, SAIC, McLean, VA 22102, U.S.A. S.J. Cooke, B...and multiple-beam klystrons as high - power RF sources. These sources are widely used or proposed to be used in accelerators in the future. Comparison...of TESLA modelling results with experimental data for a few multiple-beam klystrons are shown. INTRODUCTION High - power and high -efficiency

Tuning Ferritin’s band gap through mixed metal oxide nanoparticle formation

NASA Astrophysics Data System (ADS)

Olsen, Cameron R.; Embley, Jacob S.; Hansen, Kameron R.; Henrichsen, Andrew M.; Peterson, J. Ryan; Colton, John S.; Watt, Richard K.

2017-05-01

This study uses the formation of a mixed metal oxide inside ferritin to tune the band gap energy of the ferritin mineral. The mixed metal oxide is composed of both Co and Mn, and is formed by reacting aqueous Co2+ with {{{{MnO}}}4}- in the presence of apoferritin. Altering the ratio between the two reactants allowed for controlled tuning of the band gap energies. All minerals formed were indirect band gap materials, with indirect band gap energies ranging from 0.52 to 1.30 eV. The direct transitions were also measured, with energy values ranging from 2.71 to 3.11 eV. Tuning the band gap energies of these samples changes the wavelengths absorbed by each mineral, increasing ferritin’s potential in solar-energy harvesting. Additionally, the success of using {{{{MnO}}}4}- in ferritin mineral formation opens the possibility for new mixed metal oxide cores inside ferritin.

High power klystrons for efficient reliable high power amplifiers

NASA Astrophysics Data System (ADS)

Levin, M.

1980-11-01

This report covers the design of reliable high efficiency, high power klystrons which may be used in both existing and proposed troposcatter radio systems. High Power (10 kW) klystron designs were generated in C-band (4.4 GHz to 5.0 GHz), S-band (2.5 GHz to 2.7 GHz), and L-band or UHF frequencies (755 MHz to 985 MHz). The tubes were designed for power supply compatibility and use with a vapor/liquid phase heat exchanger. Four (4) S-band tubes were developed in the course of this program along with two (2) matching focusing solenoids and two (2) heat exchangers. These tubes use five (5) tuners with counters which are attached to the focusing solenoids. A reliability mathematical model of the tube and heat exchanger system was also generated.

Optical band gap of thermally deposited Ge-S-Ga thin films

NASA Astrophysics Data System (ADS)

Rana, Anjli; Heera, Pawan; Singh, Bhanu Pratap; Sharma, Raman

2018-05-01

Thin films of Ge20S80-xGax glassy alloy, obtained from melt quenching technique, were deposited on the glass substrate by thermal evaporation technique under a high vacuum conditions (˜ 10-5 Torr). Absorption spectrum fitting method (ASF) is employed to obtain the optical band gap from absorption spectra. This method requires only the measurement of the absorption spectrum of the sample. The width of the band tail was also determined. Optical band gap computed from absorption spectra is found to decrease with an increase in Ga content. The evaluated optical band gap (Eg) is in well agreement with the theoretically predicted Eg and obtained from transmission spectra.

Band gap in tubular pillar phononic crystal plate.

PubMed

Shu, Fengfeng; Liu, Yongshun; Wu, Junfeng; Wu, Yihui

2016-09-01

In this paper, a phononic crystal (PC) plate with tubular pillars is presented and investigated. The band structures and mode displacement profiles are calculated by using finite element method. The result shows that a complete band gap opens when the ratio of the pillar height to the plate thickness is about 1.6. However, for classic cylinder pillar structures, a band gap opens when the ratio is equal or greater than 3. A tubular pillar design with a void room in it enhances acoustic multiple scattering and gives rise to the opening of the band gap. In order to verify it, a PC structure with double tubular pillars different in size (one within the other) is introduced and a more than 2times band gap enlargement is observed. Furthermore, the coupling between the resonant mode and the plate mode around the band gap is characterized, as well as the effect of the geometrical parameters on the band gap. The behavior of such structure could be utilized to design a pillar PC with stronger structural stability and to enlarge band gaps. Copyright © 2016 Elsevier B.V. All rights reserved.

Design and 3D simulation of a two-cavity wide-gap relativistic klystron amplifier with high power injection

NASA Astrophysics Data System (ADS)

Bai, Xianchen; Yang, Jianhua; Zhang, Jiande

2012-08-01

By using an electromagnetic particle-in-cell (PIC) code, an S-band two-cavity wide-gap klystron amplifier (WKA) loaded with washers/rods structure is designed and investigated for high power injection application. Influences of the washers/rods structure on the high frequency characteristics and the basic operation of the amplifier are presented. Generally, the rod structure has great impacts on the space-charge potential depression and the resonant frequency of the cavities. Nevertheless, if only the resonant frequency is tuned to the desired operation frequency, effects of the rod size on the basic operation of the amplifier are expected to be very weak. The 3-dimension (3-D) PIC simulation results show an output power of 0.98 GW corresponding to an efficiency of 33% for the WKA, with a 594 keV, 5 kA electron beam guided by an external magnetic field of 1.5 Tesla. Moreover, if a conductive plane is placed near the output gap, such as the electron collector, the beam potential energy can be further released, and the RF power can be increased to about 1.07 GW with the conversion efficiency of about 36%.

Phase locking of an S-band wide-gap klystron amplifier with high power injection driven by a relativistic backward wave oscillator

NASA Astrophysics Data System (ADS)

Bai, Xianchen; Zhang, Jiande; Yang, Jianhua; Jin, Zhenxing

2012-12-01

Theoretical analyses and preliminary experiments on the phase-locking characteristics of an inductively loaded 2-cavity wide-gap klystron amplifier (WKA) with high power injection driven by a GW-class relativistic backward wave oscillator (RBWO) are presented. Electric power of the amplifier and oscillator is supplied by a single accelerator being capable of producing dual electron beams. The well phase-locking effect of the RBWO-WKA system requires the oscillator have good frequency reproducibility and stability from pulse to pulse. Thus, the main switch of the accelerator is externally triggered to stabilize the diode voltage and then the working frequency. In the experiment, frequency of the WKA is linearly locked by the RBWO. With a diode voltage of 530 kV and an input power of ˜22 MW, an output power of ˜230 MW with the power gain of ˜10.2 dB is obtained from the WKA. As the main switch is triggered, the relative phase difference between the RBWO and the WKA is less than ±15° in a single shot, and phase jitter of ±11° is obtained within a series of shots with duration of about 40 ns.

Extended interaction oversized coaxial relativistic klystron amplifier with gigawatt-level output at Ka band

NASA Astrophysics Data System (ADS)

Li, Shifeng; Duan, Zhaoyun; Huang, Hua; Liu, Zhenbang; He, Hu; Wang, Fei; Wang, Zhanliang; Gong, Yubin

2018-04-01

In this paper, an extended interaction oversized coaxial relativistic klystron amplifier (EIOC-RKA) with Gigawatt-level output at Ka band is proposed. We introduce the oversized coaxial and multi-gap resonant cavities to increase the power capacity and investigate a non-uniform extended interaction output cavity to improve the electronic efficiency of the EIOC-RKA. We develop a high order mode gap in the input and output cavities to easily design and fabricate the input and output couplers. Meanwhile, we design the EIOC-RKA by using the particle-in-cell simulation. In the simulations, we use an electron beam with a current of 6 kA and a voltage of 525 kV, which is focused by a low focusing magnetic flux intensity of 0.5 T. The simulation results demonstrate that the saturated output power is 1.17 GW, the electronic efficiency is 37.1%, and the saturated gain is 57 dB at 30 GHz. The self-oscillation is suppressed by adopting the absorbing materials. The proposed EIOC-RKA has plenty of advantages such as large power capacity, high electronic efficiency, low focusing magnetic, high gain, and simple structure.

Band gap grading and photovoltaic performance of solution-processed Cu(In,Ga)S2 thin-film solar cells.

PubMed

Sohn, So Hyeong; Han, Noh Soo; Park, Yong Jin; Park, Seung Min; An, Hee Sang; Kim, Dong-Wook; Min, Byoung Koun; Song, Jae Kyu

2014-12-28

The photophysical properties of CuInxGa1-xS2 (CIGS) thin films, prepared by solution-based coating methods, are investigated to understand the correlation between the optical properties of these films and the electrical characteristics of solar cells fabricated using these films. Photophysical properties, such as the depth-dependent band gap and carrier lifetime, turn out to be at play in determining the energy conversion efficiency of solar cells. A double grading of the band gap in CIGS films enhances solar cell efficiency, even when defect states disturb carrier collection by non-radiative decay. The combinational stacking of different density films leads to improved solar cell performance as well as efficient fabrication because a graded band gap and reduced shunt current increase carrier collection efficiency. The photodynamics of minority-carriers suggests that the suppression of defect states is a primary area of improvement in CIGS thin films prepared by solution-based methods.

Development of an X-Band 50 MW Multiple Beam Klystron

NASA Astrophysics Data System (ADS)

Song, Liqun; Ferguson, Patrick; Ives, R. Lawrence; Miram, George; Marsden, David; Mizuhara, Max

2003-12-01

Calabazas Creek Research, Inc. is developing an X-band 50 MW multiple beam klystron (MBK) on a DOE SBIR Phase II grant. The electrical design and preliminary mechanical design were completed on the Phase I. This MBK consists of eight discrete klystron circuits driven by eight electron beams located symmetrically on a circle with a radius of 6.3 cm. Each beam operates at 190 kV and 66 A. The eight beam electron gun is in development on a DOE SBIR Phase II grant. Each circuit consists of an input cavity, two gain cavities, three penultimate cavities, and a three cavity output circuit operating in the PI/2 mode. Ring resonators were initially proposed for the complete circuit; however, low beam — wave interaction resulted in the necessity to use discrete cavities for all eight circuits. The input cavities are coupled via hybrid waveguides to ensure constant drive power amplitude and phase. The output circuits can either be combined using compact waveguide twists driving a TE01 high power window or combined into a TM04 mode converter driving the same TE01 window. The gain and efficiency for a single circuit has been optimized using KLSC, a 2 1/2D large signal klystron code. Simulations for a single circuit predict an efficiency of 53% for a single output cavity and 55% for the three cavity output resonator. The total RF output power for this MBK is 55 MW. During the Phase II emphasis will be given to cost reduction techniques resulting in a robust — high efficient — long life high power amplifier.

Design and analysis of a radio frequency extractor in an S-band relativistic klystron amplifier.

PubMed

Zhang, Zehai; Zhang, Jun; Shu, Ting; Qi, Zumin

2012-09-01

A radio frequency (RF) extractor converts the energy of a strongly modulated intense relativistic electron beam (IREB) into the energy of high power microwave in relativistic klystron amplifier (RKA). In the aim of efficiently extracting the energy of the modulated IREB, a RF extractor with all round coupling structure is proposed. Due to the all round structure, the operating transverse magnetic mode can be established easily and its resonant property can be investigated with an approach of group delay time. Furthermore, the external quality factor can be low enough. The design and analysis of the extractor applied in an S-band RKA are carried out, and the performance of the extractor is validated with three-dimensional (3D) particle-in-cell simulations. The extraction efficiency reaches 27% in the simulation with a totally 3D model of the whole RKA. The primary experiments are also carried out and the results show that the RF extractor with the external quality factor of 7.9 extracted 22% of the beam power and transformed it into the high power microwave. Better results are expected after the parasitic mode between the input and middle cavities is suppressed.

Design and analysis of a radio frequency extractor in an S-band relativistic klystron amplifier

NASA Astrophysics Data System (ADS)

Zhang, Zehai; Zhang, Jun; Shu, Ting; Qi, Zumin

2012-09-01

A radio frequency (RF) extractor converts the energy of a strongly modulated intense relativistic electron beam (IREB) into the energy of high power microwave in relativistic klystron amplifier (RKA). In the aim of efficiently extracting the energy of the modulated IREB, a RF extractor with all round coupling structure is proposed. Due to the all round structure, the operating transverse magnetic mode can be established easily and its resonant property can be investigated with an approach of group delay time. Furthermore, the external quality factor can be low enough. The design and analysis of the extractor applied in an S-band RKA are carried out, and the performance of the extractor is validated with three-dimensional (3D) particle-in-cell simulations. The extraction efficiency reaches 27% in the simulation with a totally 3D model of the whole RKA. The primary experiments are also carried out and the results show that the RF extractor with the external quality factor of 7.9 extracted 22% of the beam power and transformed it into the high power microwave. Better results are expected after the parasitic mode between the input and middle cavities is suppressed.

Phase locking of an S-band wide-gap klystron amplifier with high power injection driven by a relativistic backward wave oscillator

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

Bai Xianchen; Zhang Jiande; Yang Jianhua

2012-12-15

Theoretical analyses and preliminary experiments on the phase-locking characteristics of an inductively loaded 2-cavity wide-gap klystron amplifier (WKA) with high power injection driven by a GW-class relativistic backward wave oscillator (RBWO) are presented. Electric power of the amplifier and oscillator is supplied by a single accelerator being capable of producing dual electron beams. The well phase-locking effect of the RBWO-WKA system requires the oscillator have good frequency reproducibility and stability from pulse to pulse. Thus, the main switch of the accelerator is externally triggered to stabilize the diode voltage and then the working frequency. In the experiment, frequency of themore » WKA is linearly locked by the RBWO. With a diode voltage of 530 kV and an input power of {approx}22 MW, an output power of {approx}230 MW with the power gain of {approx}10.2 dB is obtained from the WKA. As the main switch is triggered, the relative phase difference between the RBWO and the WKA is less than {+-}15 Degree-Sign in a single shot, and phase jitter of {+-}11 Degree-Sign is obtained within a series of shots with duration of about 40 ns.« less

Phase noise measurements of the 400-kW, 2.115-GHz (S-band) transmitter

NASA Technical Reports Server (NTRS)

Boss, P.; Hoppe, D.; Bhanji, A.

1987-01-01

The measurement theory is described and a test method to perform phase noise verification using off-the-shelf components and instruments is presented. The measurement technique described consists of a double-balanced mixer used as phase detector, followed by a low noise amplifier. An FFT spectrum analyzer is then used to view the modulation components. A simple calibration procedure is outlined that ensures accurate measurements. A block diagram of the configuration is presented as well as actual phase noise data from the 400 kW, 2.115 GHz (S-band) klystron transmitter.

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.

Inverse problem of the vibrational band gap of periodically supported beam

NASA Astrophysics Data System (ADS)

Shi, Xiaona; Shu, Haisheng; Dong, Fuzhen; Zhao, Lei

2017-04-01

The researches of periodic structures have a long history with the main contents confined in the field of forward problem. In this paper, the inverse problem is considered and an overall frame is proposed which includes two main stages, i.e., the band gap criterion and its optimization. As a preliminary investigation, the inverse problem of the flexural vibrational band gap of a periodically supported beam is analyzed. According to existing knowledge of its forward problem, the band gap criterion is given in implicit form. Then, two cases with three independent parameters, namely the double supported case and the triple one, are studied in detail and the explicit expressions of the feasible domain are constructed by numerical fitting. Finally, the parameter optimization of the double supported case with three variables is conducted using genetic algorithm aiming for the best mean attenuation within specified frequency band.

Broadband power amplifier tube: Klystron tube 5K70SK-WBT and step tuner VA-1470S

NASA Technical Reports Server (NTRS)

Cox, H. R.; Johnson, J. O.

1974-01-01

The design concept, the fabrication, and the acceptance testing of a wide band Klystron tube and remotely controlled step tuner for channel selection are discussed. The equipment was developed for the modification of an existing 20 KW Power Amplifier System which was provided to the contractor as GFE. The replacement Klystron covers a total frequency range of 2025 to 2120 MHz and is tuneable to six (6) each channel with a band width of 22 MHz or greater per channel. A 5 MHz overlap is provided between channels. Channels are selected at the control panel located in the front of the Klystron magnet or from one of three remote control stations connected in parallel with the step tuner. Included in this final report are the results of acceptance tests conducted at the vendor's plant and of the integrated system tests.

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.

S-band low noise amplifier and 40 kW high power amplifier subsystems of Japanese Deep Space Earth Station

NASA Astrophysics Data System (ADS)

Honma, K.; Handa, K.; Akinaga, W.; Doi, M.; Matsuzaki, O.

This paper describes the design and the performance of the S-band low noise amplifier and the S-band high power amplifier that have been developed for the Usuda Deep Space Station of the Institute of Space and Astronautical Science (ISAS), Japan. The S-band low noise amplifier consists of a helium gas-cooled parametric amplifier followed by three-stage FET amplifiers and has a noise temperature of 8 K. The high power amplifier is composed of two 28 kW klystrons, capable of transmitting 40 kW continuously when two klystrons are combined. Both subsystems are operating quite satisfactorily in the tracking of Sakigake and Suisei, the Japanese interplanetary probes for Halley's comet exploration, launched by ISAS in 1985.

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.

Design and Operation of a 100 kW CW X-band Klystron for Spacecraft Communications

NASA Technical Reports Server (NTRS)

Balkcum, Adam; Mizuhara, Al; Stockwell, Brad; Begum, Rasheda; Cox, Lydia; Forrest, Scott; Perrin, Mark; Zitelli, Lou; Hoppe, Dan; Britcliffe, Mike;

Quasiparticle Energies and Band Gaps in Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Yang, Li; Park, Cheol-Hwan; Son, Young-Woo; Cohen, Marvin L.; Louie, Steven G.

2007-11-01

We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green’s function approach within the GW approximation. Because of the quasi-one-dimensional nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag GNRs, in the range of 0.5 3.0 eV for ribbons of width 2.4 0.4 nm. The quasiparticle band gaps found here suggest that use of GNRs for electronic device components in ambient conditions may be viable.

RF extraction issues in the relativistic klystron amplifiers

NASA Astrophysics Data System (ADS)

Serlin, Victor; Friedman, Moshe; Lampe, Martin; Hubbard, Richard F.

1994-05-01

Relativistic klystron amplifiers (RKAs) were successfully operated at NRL in several frequency regimes and power levels. In particular, an L-band RKA was optimized for high- power rf extraction into the atmosphere and an S-band RKA was operated, both in a two-beam and a single-beam configuration. At L-band the rf extraction at maximum power levels (>= 15 GW) was hindered by pulse shortening and poor repeatability. Preliminary investigation showed electron emission in the radiating horn, due to very high voltages associated with the multi-gigawatt rf power levels. This electron current constituted an electric load in parallel with the radiating antenna, and precipitated the rf pulse collapse. At S-band the peak extracted power reached 1.7 GW with power efficiency approximately 50%. However, pulse shortening limited the duration to approximately 50 nanoseconds. The new triaxial RKA promises to solve many of the existing problems.

Narrow band gap amorphous silicon semiconductors

DOEpatents

Madan, A.; Mahan, A.H.

1985-01-10

Disclosed is a narrow band gap amorphous silicon semiconductor comprising an alloy of amorphous silicon and a band gap narrowing element selected from the group consisting of Sn, Ge, and Pb, with an electron donor dopant selected from the group consisting of P, As, Sb, Bi and N. The process for producing the narrow band gap amorphous silicon semiconductor comprises the steps of forming an alloy comprising amorphous silicon and at least one of the aforesaid band gap narrowing elements in amount sufficient to narrow the band gap of the silicon semiconductor alloy below that of amorphous silicon, and also utilizing sufficient amounts of the aforesaid electron donor dopant to maintain the amorphous silicon alloy as an n-type semiconductor.

3D contour fluorescence spectroscopy with Brus model: Determination of size and band gap of double stranded DNA templated silver nanoclusters

NASA Astrophysics Data System (ADS)

Kamalraj, Devaraj; Yuvaraj, Selvaraj; Yoganand, Coimbatore Paramasivam; Jaffer, Syed S.

2018-01-01

Here, we propose a new synthetic methodology for silver nanocluster preparation by using a double stranded-DNA (ds-DNA) template which no one has reported yet. A new calculative method was formulated to determine the size of the nanocluster and their band gaps by using steady state 3D contour fluorescence technique with Brus model. Generally, the structure and size of the nanoclusters determine by using High Resolution Transmission Electron Microscopy (HR-TEM). Before imaging the samples by using HR-TEM, they are introduced to drying process which causes aggregation and forms bigger polycrystalline particles. It takes long time duration and expensive methodology. In this current methodology, we found out the size and band gap of the nanocluster in the liquid form without any polycrystalline aggregation for which 3D contour fluorescence technique was used as an alternative approach to the HR-TEM method.

Tunneling effect on double potential barriers GaAs and PbS

NASA Astrophysics Data System (ADS)

Prastowo, S. H. B.; Supriadi, B.; Ridlo, Z. R.; Prihandono, T.

2018-04-01

A simple model of transport phenomenon tunnelling effect through double barrier structure was developed. In this research we concentrate on the variation of electron energy which entering double potential barriers to transmission coefficient. The barriers using semiconductor materials GaAs (Galium Arsenide) with band-gap energy 1.424 eV, distance of lattice 0.565 nm, and PbS (Lead Sulphide) with band gap energy 0.41 eV distance of lattice is 18 nm. The Analysisof tunnelling effect on double potentials GaAs and PbS using Schrodinger’s equation, continuity, and matrix propagation to get transmission coefficient. The maximum energy of electron that we use is 1.0 eV, and observable from 0.0025 eV- 1.0 eV. The shows the highest transmission coefficient is0.9982 from electron energy 0.5123eV means electron can pass the barriers with probability 99.82%. Semiconductor from materials GaAs and PbS is one of selected material to design semiconductor device because of transmission coefficient directly proportional to bias the voltage of semiconductor device. Application of the theoretical analysis of resonant tunnelling effect on double barriers was used to design and develop new structure and combination of materials for semiconductor device (diode, transistor, and integrated circuit).

Development and Production of a 201 MHz, 5.0 MW Peak Power Klystron

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

Aymar, Galen; Eisen, Edward; Stockwell, Brad

2016-01-01

Communications & Power Industries LLC has designed and manufactured the VKP-8201A, a high peak power, high gain, VHF band klystron. The klystron operates at 201.25 MHz, with 5.0 MW peak output power, 34 kW average output power, and a gain of 36 dB. The klystron is designed to operate between 1.0 MW and 4.5 MW in the linear range of the transfer curve. The klystron utilizes a unique magnetic field which enables the use of a proven electron gun design with a larger electron beam requirement. Experimental and predicted performance data are compared.

Band Gap Engineering with Ultralarge Biaxial Strains in Suspended Monolayer MoS2.

PubMed

Lloyd, David; Liu, Xinghui; Christopher, Jason W; Cantley, Lauren; Wadehra, Anubhav; Kim, Brian L; Goldberg, Bennett B; Swan, Anna K; Bunch, J Scott

2016-09-14

We demonstrate the continuous and reversible tuning of the optical band gap of suspended monolayer MoS2 membranes by as much as 500 meV by applying very large biaxial strains. By using chemical vapor deposition (CVD) to grow crystals that are highly impermeable to gas, we are able to apply a pressure difference across suspended membranes to induce biaxial strains. We observe the effect of strain on the energy and intensity of the peaks in the photoluminescence (PL) spectrum and find a linear tuning rate of the optical band gap of 99 meV/%. This method is then used to study the PL spectra of bilayer and trilayer devices under strain and to find the shift rates and Grüneisen parameters of two Raman modes in monolayer MoS2. Finally, we use this result to show that we can apply biaxial strains as large as 5.6% across micron-sized areas and report evidence for the strain tuning of higher level optical transitions.

Edge effects on band gap energy in bilayer 2H-MoS{sub 2} under uniaxial strain

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

Dong, Liang; Wang, Jin; Dongare, Avinash M., E-mail: dongare@uconn.edu

2015-06-28

The potential of ultrathin MoS{sub 2} nanostructures for applications in electronic and optoelectronic devices requires a fundamental understanding in their electronic structure as a function of strain. Previous experimental and theoretical studies assume that an identical strain and/or stress state is always maintained in the top and bottom layers of a bilayer MoS{sub 2} film. In this study, a bilayer MoS{sub 2} supercell is constructed differently from the prototypical unit cell in order to investigate the layer-dependent electronic band gap energy in a bilayer MoS{sub 2} film under uniaxial mechanical deformations. The supercell contains an MoS{sub 2} bottom layer andmore » a relatively narrower top layer (nanoribbon with free edges) as a simplified model to simulate the as-grown bilayer MoS{sub 2} flakes with free edges observed experimentally. Our results show that the two layers have different band gap energies under a tensile uniaxial strain, although they remain mutually interacting by van der Waals interactions. The deviation in their band gap energies grows from 0 to 0.42 eV as the uniaxial strain increases from 0% to 6% under both uniaxial strain and stress conditions. The deviation, however, disappears if a compressive uniaxial strain is applied. These results demonstrate that tensile uniaxial strains applied to bilayer MoS{sub 2} films can result in distinct band gap energies in the bilayer structures. Such variations need to be accounted for when analyzing strain effects on electronic properties of bilayer or multilayered 2D materials using experimental methods or in continuum models.« less

Ultrafast band-gap oscillations in iron pyrite

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

Kolb, B; Kolpak, AM

2013-12-20

With its combination of favorable band gap, high absorption coefficient, material abundance, and low cost, iron pyrite, FeS2, has received a great deal of attention over the past decades as a promising material for photovoltaic applications such as solar cells and photoelectrochemical cells. Devices made from pyrite, however, exhibit open circuit voltages significantly lower than predicted, and despite a recent resurgence of interest in the material, there currently exists no widely accepted explanation for this disappointing behavior. In this paper, we show that phonons, which have been largely overlooked in previous efforts, may play a significant role. Using fully self-consistentmore » GW calculations, we demonstrate that a phonon mode related to the oscillation of the sulfur-sulfur bond distance in the pyrite structure is strongly coupled to the energy of the conduction-band minimum, leading to an ultrafast (approximate to 100 fs) oscillation in the band gap. Depending on the coherency of the phonons, we predict that this effect can cause changes of up to +/- 0.3 eV relative to the accepted FeS2 band gap at room temperature. Harnessing this effect via temperature or irradiation with infrared light could open up numerous possibilities for novel devices such as ultrafast switches and adaptive solar absorbers.« less

Tunable inversion symmetry to control indirect-to-direct band gaps transitions

NASA Astrophysics Data System (ADS)

Lu, Xue-Zeng; Rondinelli, James M.

2018-05-01

Electric-field tunable indirect-to-direct band gap transitions occur in thin-film silicon and transition metal dichalcogenides; however, they remain challenging to access in three-dimensional transition metal oxides. Very recently, an unusual polar-to-nonpolar phase transition under epitaxial strain was discovered in A3B2O7 hybrid improper ferroelectrics (HIFs), which supports controllable dielectric anisotropy and magnetization. Here we examine HIF (ABO3) 1/(A'BO3) 1 superlattices and AA'BB' O6 double perovskites and predict a competing nonpolar antiferroelectric phase, demonstrating it is hidden in hybrid improper ferroelectrics exhibiting corner-connected B O6 octahedra. Furthermore, we show the transition between the polar and nonpolar phases enables an in-plane electric field to control the indirect-to-direct band gap transition at the phase boundary in the (ABO3) 1/(A'BO3) 1 superlattices and AA'BB' O6 double perovskites, which may be tuned through static strain or chemical substitution. Our findings establish HIFs as a functional electronics class from which to realize direct gap materials and enables the integration of a broader palette of chemistries and compounds for linear and nonlinear optical applications.

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.

Direct Band Gap Wurtzite Gallium Phosphide Nanowires

PubMed Central

2013-01-01

The main challenge for light-emitting diodes is to increase the efficiency in the green part of the spectrum. Gallium phosphide (GaP) with the normal cubic crystal structure has an indirect band gap, which severely limits the green emission efficiency. Band structure calculations have predicted a direct band gap for wurtzite GaP. Here, we report the fabrication of GaP nanowires with pure hexagonal crystal structure and demonstrate the direct nature of the band gap. We observe strong photoluminescence at a wavelength of 594 nm with short lifetime, typical for a direct band gap. Furthermore, by incorporation of aluminum or arsenic in the GaP nanowires, the emitted wavelength is tuned across an important range of the visible light spectrum (555–690 nm). This approach of crystal structure engineering enables new pathways to tailor materials properties enhancing the functionality. PMID:23464761

Formation of Degenerate Band Gaps in Layered Systems

PubMed Central

Ignatov, Anton I.; Merzlikin, Alexander M.; Levy, Miguel; Vinogradov, Alexey P.

2012-01-01

In the review, peculiarities of spectra of one-dimensional photonic crystals made of anisotropic and/or magnetooptic materials are considered. The attention is focused on band gaps of a special type—the so called degenerate band gaps which are degenerate with respect to polarization. Mechanisms of formation and properties of these band gaps are analyzed. Peculiarities of spectra of photonic crystals that arise due to the linkage between band gaps are discussed. Particularly, it is shown that formation of a frozen mode is caused by linkage between Brillouin and degenerate band gaps. Also, existence of the optical Borrmann effect at the boundaries of degenerate band gaps and optical Tamm states at the frequencies of degenerate band gaps are analyzed. PMID:28817024

Electronic and spin structure of the wide-band-gap topological insulator: Nearly stoichiometric Bi2Te2S

NASA Astrophysics Data System (ADS)

Annese, E.; Okuda, T.; Schwier, E. F.; Iwasawa, H.; Shimada, K.; Natamane, M.; Taniguchi, M.; Rusinov, I. P.; Eremeev, S. V.; Kokh, K. A.; Golyashov, V. A.; Tereshchenko, O. E.; Chulkov, E. V.; Kimura, A.

2018-05-01

We have grown the phase-homogeneous ternary compound with composition Bi2Te1.85S1.15 very close to the stoichiometric Bi2Te2S . The measurements performed with spin- and angle-resolved photoelectron spectroscopy as well as density functional theory and G W calculations revealed a wide-band-gap three-dimensional topological insulator phase. The surface electronic spectrum is characterized by the topological surface state (TSS) with Dirac point located above the valence band and Fermi level lying in the band gap. TSS band dispersion and constant energy contour manifest a weak warping effect near the Fermi level along with in-plane and out-of-plane spin polarization along the Γ ¯-K ¯ line. We identified four additional states at deeper binding energies with high in-plane spin polarization.

Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet.

PubMed

Warren, Joshua A; Riddle, Matthew E; Graziano, Diane J; Das, Sujit; Upadhyayula, Venkata K K; Masanet, Eric; Cresko, Joe

2015-09-01

Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of silicon carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015-2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2-20 billion GJ depending on market adoption dynamics.

Mode control in a high-gain relativistic klystron amplifier

NASA Astrophysics Data System (ADS)

Li, Zheng-Hong; Zhang, Hong; Ju, Bing-Quan; Su, Chang; Wu, Yang

2010-05-01

Middle cavities between the input and output cavity can be used to decrease the required input RF power for the relativistic klystron amplifier. Meanwhile higher modes, which affect the working mode, are also easy to excite in a device with more middle cavities. In order for the positive feedback process for higher modes to be excited, a special measure is taken to increase the threshold current for such modes. Higher modes' excitation will be avoided when the threshold current is significantly larger than the beam current. So a high-gain S-band relativistic klystron amplifier is designed for the beam of current 5 kA and beam voltage 600 kV. Particle in cell simulations show that the gain is 1.6 × 105 with the input RF power of 6.8 kW, and that the output RF power reaches 1.1 GW.

Layer specific optical band gap measurement at nanoscale in MoS{sub 2} and ReS{sub 2} van der Waals compounds by high resolution electron energy loss spectroscopy

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

Dileep, K., E-mail: dileep@jncasr.ac.in, E-mail: ranjan@jncasr.ac.in; Sahu, R.; Datta, R., E-mail: dileep@jncasr.ac.in, E-mail: ranjan@jncasr.ac.in

2016-03-21

Layer specific direct measurement of optical band gaps of two important van der Waals compounds, MoS{sub 2} and ReS{sub 2}, is performed at nanoscale by high resolution electron energy loss spectroscopy. For monolayer MoS{sub 2}, the twin excitons (1.8 and 1.95 eV) originating at the K point of the Brillouin zone are observed. An indirect band gap of 1.27 eV is obtained from the multilayer regions. Indirect to direct band gap crossover is observed which is consistent with the previously reported strong photoluminescence from the monolayer MoS{sub 2}. For ReS{sub 2}, the band gap is direct, and a value of 1.52 andmore » 1.42 eV is obtained for the monolayer and multilayer, respectively. The energy loss function is dominated by features due to high density of states at both the valence and conduction band edges, and the difference in analyzing band gap with respect to ZnO is highlighted. Crystalline 1T ReS{sub 2} forms two dimensional chains like superstructure due to the clustering between four Re atoms. The results demonstrate the power of HREELS technique as a nanoscale optical absorption spectroscopy tool.« less

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.

Low Beam Voltage, 10 MW, L-Band Cluster Klystron

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

Teryaev, V.; /Novosibirsk, IYF; Yakovlev, V.P.

2009-05-01

Conceptual design of a multi-beam klystron (MBK) for possible ILC and Project X applications is presented. The chief distinction between this MBK design and existing 10-MW MBK's is the low operating voltage of 60 kV. There are at least four compelling reasons that justify development at this time of a low-voltage MBK, namely (1) no pulse transformer; (2) no oil tank for high-voltage components and for the tube socket; (3) no high-voltage cables; and (4) modulator would be a compact 60-kV IGBT switching circuit. The proposed klystron consists of four clusters containing six beams each. The tube has common inputmore » and output cavities for all 24 beams, and individual gain cavities for each cluster. A closely related optional configuration, also for a 10 MW tube, would involve four totally independent cavity clusters with four independent input cavities and four 2.5 MW output ports, all within a common magnetic circuit. This option has appeal because the output waveguides would not require a controlled atmosphere, and because it would be easier to achieve phase and amplitude stability as required in individual SC accelerator cavities.« less

Understanding of sub-band gap absorption of femtosecond-laser sulfur hyperdoped silicon using synchrotron-based techniques

PubMed Central

Limaye, Mukta V.; Chen, S. C.; Lee, C. Y.; Chen, L. Y.; Singh, Shashi B.; Shao, Y. C.; Wang, Y. F.; Hsieh, S. H.; Hsueh, H. C.; Chiou, J. W.; Chen, C. H.; Jang, L. Y.; Cheng, C. L.; Pong, W. F.; Hu, Y. F.

2015-01-01

The correlation between sub-band gap absorption and the chemical states and electronic and atomic structures of S-hyperdoped Si have been extensively studied, using synchrotron-based x-ray photoelectron spectroscopy (XPS), x-ray absorption near-edge spectroscopy (XANES), extended x-ray absorption fine structure (EXAFS), valence-band photoemission spectroscopy (VB-PES) and first-principles calculation. S 2p XPS spectra reveal that the S-hyperdoped Si with the greatest (~87%) sub-band gap absorption contains the highest concentration of S2− (monosulfide) species. Annealing S-hyperdoped Si reduces the sub-band gap absorptance and the concentration of S2− species, but significantly increases the concentration of larger S clusters [polysulfides (Sn2−, n > 2)]. The Si K-edge XANES spectra show that S hyperdoping in Si increases (decreased) the occupied (unoccupied) electronic density of states at/above the conduction-band-minimum. VB-PES spectra evidently reveal that the S-dopants not only form an impurity band deep within the band gap, giving rise to the sub-band gap absorption, but also cause the insulator-to-metal transition in S-hyperdoped Si samples. Based on the experimental results and the calculations by density functional theory, the chemical state of the S species and the formation of the S-dopant states in the band gap of Si are critical in determining the sub-band gap absorptance of hyperdoped Si samples. PMID:26098075

Improvement of band gap profile in Cu(InGa)Se{sub 2} solar cells through rapid thermal annealing

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

Chen, D.S.; College of Mathematics and Physics, Shanghai University of Electric Power, Shanghai, 200090; Yang, J.

Highlights: • Proper RTA treatment can effectively optimize band gap profile to more expected level. • Inter-diffusion of atoms account for the improvement of the graded band gap profile. • The variation of the band gap profile created an absolute gain in the efficiency by 1.22%. - Abstract: In the paper, the effect of rapid thermal annealing on non-optimal double-graded band gap profiles was investigated by using X-ray photoelectron spectroscopy and capacitance–voltage measurement techniques. Experimental results revealed that proper rapid thermal annealing treatment can effectively improve band gap profile to more optimal level. The annealing treatment could not only reducemore » the values of front band gap and minimum band gap, but also shift the position of the minimum band gap toward front electrode and enter into space charge region. In addition, the thickness of Cu(InGa)Se{sub 2} thin film decreased by 25 nm after rapid thermal annealing treatment. All of these modifications were attributed to the inter-diffusion of atoms during thermal treatment process. Simultaneously, the variation of the band gap profile created an absolute gain in the efficiency by 1.22%, short-circuit current density by 2.16 mA/cm{sup 2} and filled factor by 3.57%.« less

Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet

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

Warren, Joshua A.; Riddle, Matthew E.; Graziano, Diane J.

2015-08-12

Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of siliconmore » carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015–2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2–20 billion GJ depending on market adoption dynamics.« less

Optically Discriminating Carrier-Induced Quasiparticle Band Gap and Exciton Energy Renormalization in Monolayer MoS2

NASA Astrophysics Data System (ADS)

Yao, Kaiyuan; Yan, Aiming; Kahn, Salman; Suslu, Aslihan; Liang, Yufeng; Barnard, Edward S.; Tongay, Sefaattin; Zettl, Alex; Borys, Nicholas J.; Schuck, P. James

2017-08-01

Optoelectronic excitations in monolayer MoS2 manifest from a hierarchy of electrically tunable, Coulombic free-carrier and excitonic many-body phenomena. Investigating the fundamental interactions underpinning these phenomena—critical to both many-body physics exploration and device applications—presents challenges, however, due to a complex balance of competing optoelectronic effects and interdependent properties. Here, optical detection of bound- and free-carrier photoexcitations is used to directly quantify carrier-induced changes of the quasiparticle band gap and exciton binding energies. The results explicitly disentangle the competing effects and highlight longstanding theoretical predictions of large carrier-induced band gap and exciton renormalization in two-dimensional semiconductors.

Optically Discriminating Carrier-Induced Quasiparticle Band Gap and Exciton Energy Renormalization in Monolayer MoS_{2}.

PubMed

Yao, Kaiyuan; Yan, Aiming; Kahn, Salman; Suslu, Aslihan; Liang, Yufeng; Barnard, Edward S; Tongay, Sefaattin; Zettl, Alex; Borys, Nicholas J; Schuck, P James

2017-08-25

Optoelectronic excitations in monolayer MoS_{2} manifest from a hierarchy of electrically tunable, Coulombic free-carrier and excitonic many-body phenomena. Investigating the fundamental interactions underpinning these phenomena-critical to both many-body physics exploration and device applications-presents challenges, however, due to a complex balance of competing optoelectronic effects and interdependent properties. Here, optical detection of bound- and free-carrier photoexcitations is used to directly quantify carrier-induced changes of the quasiparticle band gap and exciton binding energies. The results explicitly disentangle the competing effects and highlight longstanding theoretical predictions of large carrier-induced band gap and exciton renormalization in two-dimensional semiconductors.

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.

Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

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

Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo

By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operatesmore » unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.« less

Mode control in a high gain relativistic klystron amplifier with 3 GW output power

NASA Astrophysics Data System (ADS)

Wu, Yang; Xie, Hong-Quan; Xu, Zhou

2014-01-01

Higher mode excitation is very serious in the relativistic klystron amplifier, especially for the high gain relativistic amplifier working at tens of kilo-amperes. The mechanism of higher mode excitation is explored in the PIC simulation and it is shown that insufficient separation of adjacent cavities is the main cause of higher mode excitation. So RF lossy material mounted on the drift tube wall is adopted to suppress higher mode excitation. A high gain S-band relativistic klystron amplifier is designed for the beam current of 13 kA and the voltage of 1 MV. PIC simulation shows that the output power is 3.2 GW when the input power is only 2.8 kW.

Band gap engineering for graphene by using Na{sup +} ions

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

Sung, S. J.; Lee, P. R.; Kim, J. G.

2014-08-25

Despite the noble electronic properties of graphene, its industrial application has been hindered mainly by the absence of a stable means of producing a band gap at the Dirac point (DP). We report a new route to open a band gap (E{sub g}) at DP in a controlled way by depositing positively charged Na{sup +} ions on single layer graphene formed on 6H-SiC(0001) surface. The doping of low energy Na{sup +} ions is found to deplete the π* band of graphene above the DP, and simultaneously shift the DP downward away from Fermi energy indicating the opening of E{sub g}.more » The band gap increases with increasing Na{sup +} coverage with a maximum E{sub g}≥0.70 eV. Our core-level data, C 1s, Na 2p, and Si 2p, consistently suggest that Na{sup +} ions do not intercalate through graphene, but produce a significant charge asymmetry among the carbon atoms of graphene to cause the opening of a band gap. We thus provide a reliable way of producing and tuning the band gap of graphene by using Na{sup +} ions, which may play a vital role in utilizing graphene in future nano-electronic devices.« less

Multi-band reflector antenna with double-ring element frequency selective subreflector

NASA Technical Reports Server (NTRS)

Wu, Te-Kao; Lee, S. W.

1993-01-01

Frequency selective subreflectors (FSS) are often employed in the reflector antenna system of a communication satellite or a deep space exploration vehicle for multi-frequency operations. In the past, FSS's have been designed for diplexing two frequency bands. For example, the Voyager FSS was designed to diplex S and X bands and the TDRSS FSS was designed to diplex S and Ku bands. Recently, NASA's CASSINI project requires an FSS to multiplex four frequency (S/X/Ku/Ka) bands. Theoretical analysis and experimental verifications are presented for a multi-band flat pannel FSS with double-ring elements. Both the exact formulation and the thin-ring approximation are described for analyzing and designing this multi-ring patch element FSS. It is found that the thin-ring approximation fails to predict the electrically wide ring element FSS's performance. A single screen double-ring element FSS is demonstrated for the tri-band system that reflects the X-band signal while transmitting through the S- and Ku-band signals. In addition, a double screen FSS with non-similar double-ring elements is presented for the Cassini's four-band system which reflects the X- and Ka-band signals while passing the S- and Ku-band signals. To accurately predict the FSS effects on a dual reflector antenna's radiation pattern, the FSS subreflector's transmitted/reflected field variation as functions of the polarization and incident angles with respect to the local coordinates was taken into account. An FSS transmission/reflection coefficient table is computed for TE and TM polarizations at various incident angles based on the planar FSS model. Next, the hybrid Geometric Optics (GO) and Physical Optics (PO) technique is implemented with linearly interpolating the FSS table to efficiently determine the FSS effects in a dual reflector antenna.

Tuning to the band gap by complex defects engineering: insights from hybrid functional calculations in CuInS2

NASA Astrophysics Data System (ADS)

Yang, Pei; Shi, Li-Jie; Zhang, Jian-Min; Liu, Gui-Bin; Yang, Shengyuan A.; Guo, Wei; Yao, Yugui

2018-01-01

Tuning band gaps of semiconductors in terms of defect control is essential for the optical and electronic properties of photon emission or photon harvesting devices. By using first-principles calculations, we study the stability condition of bulk CuInS2 and formation energies of point and complex defects in CuInS2 with hybrid exchange-correlation functionals. We find that at Cu-rich and In-poor conditions, 2Cui  +  CuIn is the main complex defect, while InCu  +  2VCu is the main complex defect at In-rich and Cu-poor conditions. Such stable complex defects provide the feasibility of tuning band gaps by varying the [Cu]/[In] molar ratios. These results present how the off-stoichiometry CuInS2 crystal structures, and electronic and optical properties can be optimized by tuning the [Cu]/[In] ratio and Fermi level, and highlight the importance of complex defects in achieving better photoelectric performance in CuInS2. Such band gap tuning in terms of complex defect engineering is a general approach and thus applicable to other photo-harvest or light-emission semiconductors.

Band gap tuning of armchair silicene nanoribbons using periodic hexagonal holes

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

Mehdi Aghaei, Sadegh; Calizo, Irene, E-mail: icalizo@fiu.edu

2015-09-14

The popularity of graphene owing to its unique and exotic properties has triggered a great deal of interest in other two-dimensional nanomaterials. Among them silicene shows considerable promise for electronic devices with a carrier mobility comparable to graphene, flexible buckled structure, and expected compatibility with silicon electronics. Using first-principle calculations based on density functional theory, the electronic properties of armchair silicene nanoribbons perforated with periodic nanoholes (ASiNRPNHs) are investigated. Two different configurations of mono-hydrogenated (:H) and di-hydrogenated (:2H) silicene edges are considered. Pristine armchair silicene nanoribbons (ASiNRs) can be categorized into three branches with width W = 3P − 1, 3P, andmore » 3P + 1, P is an integer. The order of their energy gaps change from “E{sub G} (3P − 1) < E{sub G} (3P) < E{sub G} (3P + 1)” for W-ASiNRs:H to “E{sub G} (3P + 1) < E{sub G} (3P − 1) < E{sub G} (3P)” for W-ASiNRs:2H. We found the band gaps of W-ASiNRs:H and (W + 2)-ASiNRs:2H are slightly different, giving larger band gaps for wider ASiNRs:2H. ASiNRPNHs' band gaps changed based on the nanoribbon's width, nanohole's repeat periodicity and position relative to the nanoribbon's edge compared to pristine ASiNRs because of changes in quantum confinement strength. ASiNRPNHs:2H are more stable than ASiNRPNHs:H and their band gaps are noticeably greater than ASiNRPNHs:H. We found that the value of energy band gap for 12-ASiNRPNHs:2H with repeat periodicity of 2 is 0.923 eV. This value is about 2.2 times greater than pristine ASiNR:2H and double that of the 12-ASiNRPNHs:H with repeat periodicity of 2.« less

A novel theoretical model for the temperature dependence of band gap energy in semiconductors

NASA Astrophysics Data System (ADS)

Geng, Peiji; Li, Weiguo; Zhang, Xianhe; Zhang, Xuyao; Deng, Yong; Kou, Haibo

2017-10-01

We report a novel theoretical model without any fitting parameters for the temperature dependence of band gap energy in semiconductors. This model relates the band gap energy at the elevated temperature to that at the arbitrary reference temperature. As examples, the band gap energies of Si, Ge, AlN, GaN, InP, InAs, ZnO, ZnS, ZnSe and GaAs at temperatures below 400 K are calculated and are in good agreement with the experimental results. Meanwhile, the band gap energies at high temperatures (T  >  400 K) are predicted, which are greater than the experimental results, and the reasonable analysis is carried out as well. Under low temperatures, the effect of lattice expansion on the band gap energy is very small, but it has much influence on the band gap energy at high temperatures. Therefore, it is necessary to consider the effect of lattice expansion at high temperatures, and the method considering the effect of lattice expansion has also been given. The model has distinct advantages compared with the widely quoted Varshni’s semi-empirical equation from the aspect of modeling, physical meaning and application. The study provides a convenient method to determine the band gap energy under different temperatures.

Utilization of a Vircator to drive a High Power Relativistic Klystron Amplifier

NASA Astrophysics Data System (ADS)

Gardelle, J.; Bardy, J.; Cassany, B.; Desanlis, T.; Eyl, P.; Galtié, A.; Modin, P.; Voisin, L.; Balleyguier, P.; Gouard, P.; Donohue, J.

2002-11-01

At CESTA, we have been producing electron beams for some fifteen years by using induction accelerators and pulse diodes. First we had performed Frre-Electron Lasers experiments and we are currently studying the production of High-Power microwaves in the S-band. Among the possible sources we have chosen to perform Relativistic Klystron (RK) experiments with a pulse diode capable of generating a 700kV, 15 kA, 100 ns annular electron beam. In an amplifier configuration, we are testing the idea of using a Vircator as the driver for the first cavity of the klystron. This Vircator uses a simple electrical generator (Marx capacitor bank) which operates in the S-band in the GW class. By reducing the power level to about 100 MW, a 200 ns reliable and reproducible input driver pulse is obtained. First, we present the results of a preliminary experiment for which a coaxial cavity has been built in order to be fed by the Vircator emission at 2.45 GHz. Secondly, we give the experimental results in an oscillator configuration which corresponds to the fisrt step of our RK studies. Comparisons with the results of numerical simulations performed with MAGIC and MAFIA will be given for both experiments.

Special purpose modes in photonic band gap fibers

DOEpatents

Spencer, James; Noble, Robert; Campbell, Sara

2013-04-02

Photonic band gap fibers are described having one or more defects suitable for the acceleration of electrons or other charged particles. Methods and devices are described for exciting special purpose modes in the defects including laser coupling schemes as well as various fiber designs and components for facilitating excitation of desired modes. Results are also presented showing effects on modes due to modes in other defects within the fiber and due to the proximity of defects to the fiber edge. Techniques and devices are described for controlling electrons within the defect(s). Various applications for electrons or other energetic charged particles produced by such photonic band gap fibers are also described.

Tin monochalcogenide heterostructures as mechanically rigid infrared band gap semiconductors

NASA Astrophysics Data System (ADS)

Özçelik, V. Ongun; Fathi, Mohammad; Azadani, Javad G.; Low, Tony

2018-05-01

Based on first-principles density functional calculations, we show that SnS and SnSe layers can form mechanically rigid heterostructures with the constituent puckered or buckled monolayers. Due to the strong interlayer coupling, the electronic wave functions of the conduction and valence band edges are delocalized across the heterostructure. The resultant band gaps of the heterostructures reside in the infrared region. With strain engineering, the heterostructure band gap undergoes a transition from indirect to direct in the puckered phase. Our results show that there is a direct correlation between the electronic wave function and the mechanical rigidity of the layered heterostructure.

The Marvels of Electromagnetic Band Gap (EBG) Structures

DTIC Science & Technology

2003-11-01

terminology of "Electromagnetic conference papers and journal articles dealing with Band- gaps (EBG)". Recently, many researchers the characterizations...Band Gap (EBG) Structures 9 utilized to reduce the mutual coupling between Structures: An FDTD/Prony Technique elements of antenna arrays. based on the...Band- Gap of several patents. He has had pioneering research contributions in diverse areas of electromagnetics,Snteructure", Dymposiget o l 21 IE 48

Dipole-allowed direct band gap silicon superlattices

PubMed Central

Oh, Young Jun; Lee, In-Ho; Kim, Sunghyun; Lee, Jooyoung; Chang, Kee Joo

2015-01-01

Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable pure-silicon superlattice structures that can serve as promising materials for solar cell applications and can lead to the realization of pure Si-based optoelectronic devices. The structures are almost identical to that of bulk Si except that defective layers are intercalated in the diamond lattice. The superlattices exhibit dipole-allowed direct band gaps as well as indirect band gaps, providing ideal conditions for the investigation of a direct-to-indirect band gap transition. The fact that almost all structural portions of the superlattices originate from bulk Si warrants their stability and good lattice matching with bulk Si. Through first-principles molecular dynamics simulations, we confirmed their thermal stability and propose a possible method to synthesize the defective layer through wafer bonding. PMID:26656482

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.

Experimental Performance of the NRL 8-Beam, 4-Cavity Multiple-Beam Klystron

NASA Astrophysics Data System (ADS)

Abe, D. K.; Pershing, D. E.; Nguyen, K. T.; Wood, F. N.; Myers, R. E.; Eisen, E. L.; Cusick, M.; Levush, B.

2006-01-01

Multiple-beam amplifiers (MBAs) represent a device technology with the potential to produce high-power, efficient amplifiers with relatively wide bandwidths that are compact, low-weight, low-noise, and operate at reduced voltages relative to comparable single-beam devices. To better understand the device physics and technical issues involved in the design, fabrication, and operation of these devices, the U.S. Naval Research Laboratory (NRL) has an on-going program to develop high peak power (> 600 kW) multiple-beam klystrons (MBKs) operating in S-band (˜3.3 GHz).

Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

NASA Astrophysics Data System (ADS)

Dey, Anup; Maiti, Biswajit; Chanda Sarkar, Debasree

2014-04-01

A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k→) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg1-xCdxTe, and In1-xGaxAsyP1-y lattice matched to InP, as example of III-V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

Width-Dependent Band Gap in Armchair Graphene Nanoribbons Reveals Fermi Level Pinning on Au(111)

PubMed Central

2017-01-01

We report the energy level alignment evolution of valence and conduction bands of armchair-oriented graphene nanoribbons (aGNR) as their band gap shrinks with increasing width. We use 4,4″-dibromo-para-terphenyl as the molecular precursor on Au(111) to form extended poly-para-phenylene nanowires, which can subsequently be fused sideways to form atomically precise aGNRs of varying widths. We measure the frontier bands by means of scanning tunneling spectroscopy, corroborating that the nanoribbon’s band gap is inversely proportional to their width. Interestingly, valence bands are found to show Fermi level pinning as the band gap decreases below a threshold value around 1.7 eV. Such behavior is of critical importance to understand the properties of potential contacts in GNR-based devices. Our measurements further reveal a particularly interesting system for studying Fermi level pinning by modifying an adsorbate’s band gap while maintaining an almost unchanged interface chemistry defined by substrate and adsorbate. PMID:29049879

Band Gap Optimization Design of Photonic Crystals Material

NASA Astrophysics Data System (ADS)

Yu, Y.; Yu, B.; Gao, X.

2017-12-01

The photonic crystal has a fundamental characteristic - photonic band gap, which can prevent light to spread in the crystals. This paper studies the width variation of band gaps of two-dimension square lattice photonic crystals by changing the geometrical shape of the unit cells’ inner medium column. Using the finite element method, we conduct numerical experiments on MATLAB 2012a and COMSOL 3.5. By shortening the radius in vertical axis and rotating the medium column, we design a new unit cell, with a 0.3*3.85e-7 vertical radius and a 15 degree deviation to the horizontal axis. The new cell has a gap 1.51 percent wider than the circle medium structure in TE gap and creates a 0.0124 wide TM gap. Besides, the experiment shows the first TM gap is partially overlapped by the second TE gap in gap pictures. This is helpful to format the absolute photonic band gaps and provides favorable theoretical basis for designing photonic communication material.

Experimental high gradient testing of a 17.1 GHz photonic band-gap accelerator structure

DOE PAGES

Munroe, Brian J.; Zhang, JieXi; Xu, Haoran; ...

2016-03-29

In this paper, we report the design, fabrication, and high gradient testing of a 17.1 GHz photonic band-gap (PBG) accelerator structure. Photonic band-gap (PBG) structures are promising candidates for electron accelerators capable of high-gradient operation because they have the inherent damping of high order modes required to avoid beam breakup instabilities. The 17.1 GHz PBG structure tested was a single cell structure composed of a triangular array of round copper rods of radius 1.45 mm spaced by 8.05 mm. The test assembly consisted of the test PBG cell located between conventional (pillbox) input and output cells, with input power ofmore » up to 4 MW from a klystron supplied via a TM 01 mode launcher. Breakdown at high gradient was observed by diagnostics including reflected power, downstream and upstream current monitors and visible light emission. The testing procedure was first benchmarked with a conventional disc-loaded waveguide structure, which reached a gradient of 87 MV=m at a breakdown probability of 1.19 × 10 –1 per pulse per meter. The PBG structure was tested with 100 ns pulses at gradient levels of less than 90 MV=m in order to limit the surface temperature rise to 120 K. The PBG structure reached up to 89 MV=m at a breakdown probability of 1.09 × 10 –1 per pulse per meter. These test results show that a PBG structure can simultaneously operate at high gradients and low breakdown probability, while also providing wakefield damping.« less

Band-edges and band-gap in few-layered transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Bhunia, Hrishikesh; Pal, Amlan J.

2018-05-01

We have considered liquid-exfoliated transition metal dichalcogenides (WS2, WSe2, MoS2, and MoSe2) and studied their band-edges and band-gap through scanning tunneling spectroscopy (STS) and density of states. A monolayer, bilayer (2L), and trilayer (3L) of each of the layered materials were characterized to derive the energies. Upon an increase in the number of layers, both the band-edges were found to shift towards the Fermi energy. The results from the exfoliated nanosheets have been compared with reported STS studies of MoS2 and WSe2 formed through chemical vapor deposition or molecular beam epitaxy methods; an uncontrolled lattice strain existed in such 2L and 3L nanoflakes due to mismatch in stacking-patterns between the monolayers affecting their energies. In the present work, the layers formed through the liquid-exfoliation process retained their interlayer coupling or stacking-sequence prevalent to the bulk and hence allowed determination of band-energies in these strain-free two-dimensional materials.

Bi-directional evolutionary optimization for photonic band gap structures

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

Meng, Fei; School of Civil Engineering, Central South University, Changsha 410075; Huang, Xiaodong, E-mail: huang.xiaodong@rmit.edu.au

2015-12-01

Toward an efficient and easy-implement optimization for photonic band gap structures, this paper extends the bi-directional evolutionary structural optimization (BESO) method for maximizing photonic band gaps. Photonic crystals are assumed to be periodically composed of two dielectric materials with the different permittivity. Based on the finite element analysis and sensitivity analysis, BESO starts from a simple initial design without any band gap and gradually re-distributes dielectric materials within the unit cell so that the resulting photonic crystal possesses a maximum band gap between two specified adjacent bands. Numerical examples demonstrated the proposed optimization algorithm can successfully obtain the band gapsmore » from the first to the tenth band for both transverse magnetic and electric polarizations. Some optimized photonic crystals exhibit novel patterns markedly different from traditional designs of photonic crystals.« less

Band-Gap and Band-Edge Engineering of Multicomponent Garnet Scintillators from First Principles

NASA Astrophysics Data System (ADS)

Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; Jiang, Chao; Stanek, Christopher R.

2015-11-01

Complex doping schemes in R3 Al5 O12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimum (CBM) or valence-band maximum (VBM). We consider two sets of compositions based on Lu3 B5O12 where B is Al, Ga, In, As, and Sb, and R3Al5 O12 , where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. This approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.

Klystron-linac combination

DOEpatents

Stein, W.E.

1980-04-24

A combination klystron-linear accelerator which utilizes anti-bunch electrons generated in the klystron section as a source of electrons to be accelerated in the accelerator section. Electron beam current is controlled by second harmonic bunching, constrictor aperture size and magnetic focusing. Rf coupling is achieved by internal and external coupling.

Direct imaging of band profile in single layer MoS2 on graphite: quasiparticle energy gap, metallic edge states, and edge band bending.

PubMed

Zhang, Chendong; Johnson, Amber; Hsu, Chang-Lung; Li, Lain-Jong; Shih, Chih-Kang

2014-05-14

Using scanning tunneling microscopy and spectroscopy, we probe the electronic structures of single layer MoS2 on graphite. The apparent quasiparticle energy gap of single layer MoS2 is measured to be 2.15 ± 0.06 eV at 77 K, albeit a higher second conduction band threshold at 0.2 eV above the apparent conduction band minimum is also observed. Combining it with photoluminescence studies, we deduce an exciton binding energy of 0.22 ± 0.1 eV (or 0.42 eV if the second threshold is use), a value that is lower than current theoretical predictions. Consistent with theoretical predictions, we directly observe metallic edge states of single layer MoS2. In the bulk region of MoS2, the Fermi level is located at 1.8 eV above the valence band maximum, possibly due to the formation of a graphite/MoS2 heterojunction. At the edge, however, we observe an upward band bending of 0.6 eV within a short depletion length of about 5 nm, analogous to the phenomena of Fermi level pinning of a 3D semiconductor by metallic surface states.

Sizable band gap in organometallic topological insulator

NASA Astrophysics Data System (ADS)

Derakhshan, V.; Ketabi, S. A.

2017-01-01

Based on first principle calculation when Ceperley-Alder and Perdew-Burke-Ernzerh type exchange-correlation energy functional were adopted to LSDA and GGA calculation, electronic properties of organometallic honeycomb lattice as a two-dimensional topological insulator was calculated. In the presence of spin-orbit interaction bulk band gap of organometallic lattice with heavy metals such as Au, Hg, Pt and Tl atoms were investigated. Our results show that the organometallic topological insulator which is made of Mercury atom shows the wide bulk band gap of about ∼120 meV. Moreover, by fitting the conduction and valence bands to the band-structure which are produced by Density Functional Theory, spin-orbit interaction parameters were extracted. Based on calculated parameters, gapless edge states within bulk insulating gap are indeed found for finite width strip of two-dimensional organometallic topological insulators.

Designing broad phononic band gaps for in-plane modes

NASA Astrophysics Data System (ADS)

Li, Yang Fan; Meng, Fei; Li, Shuo; Jia, Baohua; Zhou, Shiwei; Huang, Xiaodong

2018-03-01

Phononic crystals are known as artificial materials that can manipulate the propagation of elastic waves, and one essential feature of phononic crystals is the existence of forbidden frequency range of traveling waves called band gaps. In this paper, we have proposed an easy way to design phononic crystals with large in-plane band gaps. We demonstrated that the gap between two arbitrarily appointed bands of in-plane mode can be formed by employing a certain number of solid or hollow circular rods embedded in a matrix material. Topology optimization has been applied to find the best material distributions within the primitive unit cell with maximal band gap width. Our results reveal that the centroids of optimized rods coincide with the point positions generated by Lloyd's algorithm, which deepens our understandings on the formation mechanism of phononic in-plane band gaps.

Tunable terahertz reflection spectrum based on band gaps of GaP materials excited by ultrasonic

NASA Astrophysics Data System (ADS)

Cui, H.; Zhang, X. B.; Wang, X. F.; Wang, G. Q.

2018-02-01

Tunable terahertz (THz) reflection spectrum, ranged from 0.2 to 8 THz, in band gaps of gallium phosphide (GaP) materials excited by ultrasonic is investigated in the present paper, in which tunable ultrasonic and terahertz wave collinear transmission in the same direction is postulated. Numerical simulation results show that, under the acousto-optic interaction, band gaps of transverse optical phonon polariton dispersion curves are turned on, this leads to a dis-propagation of polariton in GaP bulk. On the other side, GaP material has less absorption to THz wave according to experimental studies, as indicates that THz wave could be reflected by the band gaps spontaneously. The band gaps width and acousto-optic coupling strength are proportional with ultrasonic frequency and its intensity in ultrasonic frequency range of 0-250 MHz, in which low-frequency branch of transverse optical phonon polariton dispersion curves demonstrate periodicity and folding as well as. With the increase of ultrasonic frequency, frequency of band gap is blue-shifted, and total reflectivity decreased with -1-order and -2-order reflectivity decrease. The band gaps converge to the restrahlen band infinitely with frequency of ultrasonic exceeding over 250 MHz, total reflectivity of which is attenuated. As is show above, reflection of THz wave can be accommodated by regulating the frequency and its intensity of ultrasonic frequency. Relevant technology may be available in tunable THz frequency selection and filtering.

Band gap scaling laws in group IV nanotubes.

PubMed

Wang, Chongze; Fu, Xiaonan; Guo, Yangyang; Guo, Zhengxiao; Xia, Congxin; Jia, Yu

2017-03-17

By using the first-principles calculations, the band gap properties of nanotubes formed by group IV elements have been investigated systemically. Our results reveal that for armchair nanotubes, the energy gaps at K points in the Brillouin zone decrease as 1/r scaling law with the radii (r) increasing, while they are scaled by -1/r 2  + C at Γ points, here, C is a constant. Further studies show that such scaling law of K points is independent of both the chiral vector and the type of elements. Therefore, the band gaps of nanotubes for a given radius can be determined by these scaling laws easily. Interestingly, we also predict the existence of indirect band gap for both germanium and tin nanotubes. Our new findings provide an efficient way to determine the band gaps of group IV element nanotubes by knowing the radii, as well as to facilitate the design of functional nanodevices.

Assessment of band gaps for alkaline-earth chalcogenides using improved Tran Blaha-modified Becke Johnson potential

NASA Astrophysics Data System (ADS)

Yedukondalu, N.; Kunduru, Lavanya; Roshan, S. C. Rakesh; Sainath, M.

2018-04-01

Assessment of band gaps for nine alkaline-earth chalcogenides namely MX (M = Ca, Sr, Ba and X = S, Se Te) compounds are reported using Tran Blaha-modified Becke Johnson (TB-mBJ) potential and its new parameterization. From the computed electronic band structures at the equilibrium lattice constants, these materials are found to be indirect band gap semiconductors at ambient conditions. The calculated band gaps are improved using TB-mBJ and its new parameterization when compared to local density approximation (LDA) and Becke Johnson potentials. We also observe that TB-mBJ new parameterization for semiconductors below 7 eV reproduces the experimental trends very well for the small band gap semiconducting alkaline-earth chalcogenides. The calculated band profiles look similar for MX compounds (electronic band structures are provided for BaS for representation purpose) using LDA and new parameterization of TB-mBJ potentials.

Band Gap Engineering of Titania Systems Purposed for Photocatalytic Activity

NASA Astrophysics Data System (ADS)

Thurston, Cameron

Ab initio computer aided design drastically increases candidate population for highly specified material discovery and selection. These simulations, carried out through a first-principles computational approach, accurately extrapolate material properties and behavior. Titanium Dioxide (TiO2 ) is one such material that stands to gain a great deal from the use of these simulations. In its anatase form, titania (TiO2 ) has been found to exhibit a band gap nearing 3.2 eV. If titania is to become a viable alternative to other contemporary photoactive materials exhibiting band gaps better suited for the solar spectrum, then the band gap must be subsequently reduced. To lower the energy needed for electronic excitation, both transition metals and non-metals have been extensively researched and are currently viable candidates for the continued reduction of titania's band gap. The introduction of multicomponent atomic doping introduces new energy bands which tend to both reduce the band gap and recombination loss. Ta-N, Nb-N, V-N, Cr-N, Mo-N, and W-N substitutions were studied in titania and subsequent energy and band gap calculations show a favorable band gap reduction in the case of passivated systems.

Band gap structures for 2D phononic crystals with composite scatterer

NASA Astrophysics Data System (ADS)

Qi, Xiao-qiao; Li, Tuan-jie; Zhang, Jia-long; Zhang, Zhen; Tang, Ya-qiong

2018-05-01

We investigated the band gap structures in two-dimensional phononic crystals with composite scatterer. The composite scatterers are composed of two materials (Bragg scattering type) or three materials (locally resonance type). The finite element method is used to calculate the band gap structure, eigenmodes and transmission spectrum. The variation of the location and width of band gap are also investigated as a function of material ratio in the scatterer. We have found that the change trends the widest band gap of the two phononic crystals are different as the material ratio changing. In addition to this, there are three complete band gaps at most for the Bragg-scattering-type phononic crystals in the first six bands; however, the locally resonance-type phononic crystals exist only two complete band gap at most in the first six bands. The gap-tuning effect can be controlled by the material ratio in the scatterer.

Opening complete band gaps in two dimensional locally resonant phononic crystals

NASA Astrophysics Data System (ADS)

Zhou, Xiaoling; Wang, Longqi

2018-05-01

Locally resonant phononic crystals (LRPCs) which have low frequency band gaps attract a growing attention in both scientific and engineering field recently. Wide complete locally resonant band gaps are the goal for researchers. In this paper, complete band gaps are achieved by carefully designing the geometrical properties of the inclusions in two dimensional LRPCs. The band structures and mechanisms of different types of models are investigated by the finite element method. The translational vibration patterns in both the in-plane and out-of-plane directions contribute to the full band gaps. The frequency response of the finite periodic structures demonstrate the attenuation effects in the complete band gaps. Moreover, it is found that the complete band gaps can be further widened and lowered by increasing the height of the inclusions. The tunable properties by changing the geometrical parameters provide a good way to open wide locally resonant band gaps.

Growth of Wide Band Gap II-VI Compound Semiconductors by Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Sha, Yi-Gao

1995-01-01

The studies on the crystal growth and characterization of II-VI wide band gap compound semiconductors, such as ZnTe, CdS, ZnSe and ZnS, have been conducted over the past three decades. The research was not quite as extensive as that on Si, III-V, or even narrow band gap II-VI semiconductors because of the high melting temperatures as well as the specialized applications associated with these wide band gap semiconductors. In the past several years, major advances in the thin film technology such as Molecular Beam Epitaxy (MBE) and Metal Organic Chemical Vapor Deposition (MOCVD) have demonstrated the applications of these materials for the important devices such as light-emitting diode, laser and ultraviolet detectors and the tunability of energy band gap by employing ternary or even quaternary systems of these compounds. At the same time, the development in the crystal growth of bulk materials has not advanced far enough to provide low price, high quality substrates needed for the thin film growth technology.

Effect of band-aligned double absorber layers on photovoltaic characteristics of chemical bath deposited PbS/CdS thin film solar cells.

PubMed

Ho Yeon, Deuk; Chandra Mohanty, Bhaskar; Lee, Seung Min; Soo Cho, Yong

2015-09-23

Here we report the highest energy conversion efficiency and good stability of PbS thin film-based depleted heterojunction solar cells, not involving PbS quantum dots. The PbS thin films were grown by the low cost chemical bath deposition (CBD) process at relatively low temperatures. Compared to the quantum dot solar cells which require critical and multistep complex procedures for surface passivation, the present approach, leveraging the facile modulation of the optoelectronic properties of the PbS films by the CBD process, offers a simpler route for optimization of PbS-based solar cells. Through an architectural modification, wherein two band-aligned junctions are stacked without any intervening layers, an enhancement of conversion efficiency by as much as 30% from 3.10 to 4.03% facilitated by absorption of a wider range of solar spectrum has been obtained. As an added advantage of the low band gap PbS stacked over a wide gap PbS, the devices show stability over a period of 10 days.

Solid state modulator for klystron power supply XFEL TDS INJ

NASA Astrophysics Data System (ADS)

Zavadtsev, A. A.; Zavadtsev, D. A.; Zybin, D. A.; Churanov, D. V.; Shemarykin, P. V.

2016-09-01

The transverse deflecting system XFEL TDS INJ for European X-ray Free Electron Laser includes power supply for the CPI VKS-8262HS klystron. It has been designed for pulse high-voltage, cathode heating, solenoid and klystron ion pump. The klystron power supply includes solid state modulator, pulse transformer, controlled power supply for cathode heating and commercial power supplies for solenoid and ion pump. Main parameters of the modulator are 110 kV of peak voltage, 72 A peak current, and pulse length up to 6 μs. The klystron power supply has been developed, designed, manufactured, tuned, tested and installed in the XFEL building. All designed parameters are satisfied.

A new silicon phase with direct band gap and novel optoelectronic properties

DOE PAGES

Guo, Yaguang; Wang, Qian; Kawazoe, Yoshiyuki; ...

2015-09-23

Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable. Symmetry group analysis further suggests that dipole transition at the direct band gap is allowed. Additionally, this new allotrope displays large carrier mobility (~10 4 cm/V · s) at room temperature and a low mass density (1.71 g/cm 3), making it amore » promising material for optoelectronic applications.« less

A concept of a wide aperture klystron with RF absorbing drift tubes for a linear collider

NASA Astrophysics Data System (ADS)

Dolbilov, G. V.; Azorsky, N. I.; Fateev, A. A.; Lebedev, N. I.; Petrov, V. A.; Shvetsov, V. S.; Yurkov, M. V.; Balakin, V. E.; Avrakhov, P. V.; Kazakov, S. Yu.; Solyak, N. A.; Teryaev, V. E.; Vogel, V. F.

1996-02-01

This paper is devoted to a problem of the optimal design of the electrodynamic structure of the X-band klystron for a linear collider. It is shown that the optimal design should provide a large aperture and a high power gain, about 80 dB. The most severe problem arising here is that of parasitic self-excitation of the klystron, which becomes more complicated at increasing aperture and power gain. Our investigations have shown that traditional methods for suppressing the self-excitation become ineffective at the desired technical parameters of the klystron. In this paper we present a novel concept of a wide aperture klystron with distributed suppression of parasitic oscillations. Results of an experimental study of the wide-aperture relativistic klystron for VLEPP are presented. Investigations have been performed using the driving beam of the JINR LIA-3000 induction accelerator ( E = 1 MeV, I = 250 A, τ = 250 ns). To suppress self-excitation parasitic modes we have used the technique of RF absorbing drift tubes. As a result, we have obtained design output parameters of the klystron and achieved a level of 100 MW output power.

Hierarchical active factors to band gap and nonlinear optical response in Ag-containing quaternary-chalcogenide compounds

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

Huang, Jun-ben; Xinjiang Key Laboratory of Electronic Information Material and Devices, Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011; Mamat, Mamatrishat, E-mail: mmtrxt@xju.edu.cn

In this research work, Ag-containing quaternary-chalcogenide compounds KAg{sub 2}TS{sub 4} (T=P, Sb) (I-II) and RbAg{sub 2}SbS{sub 4} (III) have been studied by means of Density Functional Theory as potential IR nonlinear optical materials. The origin of wide band gap, different optical anisotropy and large SHG response is explained via a combination of density of states, electronic density difference and bond population analysis. It is indicated that the different covalent interaction behavior of P-S and Sb-S bonds dominates the band gap and birefringence. Specifically, the Ag-containing chalcogenide compound KAg{sub 2}PS{sub 4} possesses wide band gap and SHG response comparable with thatmore » of AgGaS{sub 2}. By exploring the origin of the band gap and NLO response for compounds KAg{sub 2}TS{sub 4} (T=P, Sb), we found the determination factor to the properties is different, especially the roles of Ag-d orbitals and bonding behavior of P-S or Sb-S. Thus, the compounds KAg{sub 2}TS{sub 4} (T=P, Sb) and RbAg{sub 2}SbS{sub 4} can be used in infrared (IR) region. - Graphical abstract: Metal thiophosphates RbPbPS{sub 4} and KSbP{sub 2}S{sub 6} have a similar band gap with KAg{sub 2}PS{sub 4}. However, based on first principles calculated results it shown that KAg{sub 2}PS{sub 4} possesses wide band gap (3.02 eV) and relatively large SHG response. Display Omitted.« less

Band-gap and band-edge engineering of multicomponent garnet scintillators from first principles

DOE PAGES

Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; ...

2015-11-24

Complex doping schemes in R 3Al 5O 12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimummore » (CBM) or valence-band maximum (VBM). We consider two sets of compositions based on Lu 3B 5O 12 where B is Al, Ga, In, As, and Sb, and R 3Al 5O 12, where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. Furthermore, this approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.« less

Local strain-induced band gap fluctuations and exciton localization in aged WS2 monolayers

NASA Astrophysics Data System (ADS)

Krustok, J.; Kaupmees, R.; Jaaniso, R.; Kiisk, V.; Sildos, I.; Li, B.; Gong, Y.

2017-06-01

Optical properties of aged WS2 monolayers grown by CVD method on Si/SiO2 substrates are studied using temperature dependent photoluminescence and reflectance contrast spectroscopy. Aged WS2 monolayers have a typical surface roughness about 0.5 nm and, in addition, a high density of nanoparticles (nanocaps) with the base diameter about 30 nm and average height of 7 nm. The A-exciton of aged monolayer has a peak position at 1.951 eV while in as-grown monolayer the peak is at about 24 meV higher energy at room temperature. This red-shift is explained using local tensile strain concept, where strain value of 2.1% was calculated for these nanocap regions. Strained nanocaps have lower band gap energy and excitons will funnel into these regions. At T=10K a double exciton and trion peaks were revealed. The separation between double peaks is about 20 meV and the origin of higher energy peaks is related to the optical band gap energy fluctuations caused by random distribution of local tensile strain due to increased surface roughness. In addition, a wide defect related exciton band XD was found at about 1.93 eV in all aged monolayers. It is shown that the theory of localized excitons describes well the temperature dependence of peak position and halfwidth of the A-exciton band. The possible origin of nanocaps is also discussed.

Resolution of the Band Gap Prediction Problem for Materials Design

DOE PAGES

Crowley, Jason M.; Tahir-Kheli, Jamil; Goddard, William A.

2016-03-04

An important property with any new material is the band gap. Standard density functional theory methods grossly underestimate band gaps. This is known as the band gap problem. Here in this paper, we show that the hybrid B3PW91 density functional returns band gaps with a mean absolute deviation (MAD) from experiment of 0.22 eV over 64 insulators with gaps spanning a factor of 500 from 0.014 to 7 eV. The MAD is 0.28 eV over 70 compounds with gaps up to 14.2 eV, with a mean error of -0.03 eV. To benchmark the quality of the hybrid method, we comparedmore » the hybrid method to the rigorous GW many-body perturbation theory method. Surprisingly, the MAD for B3PW91 is about 1.5 times smaller than the MAD for GW. Furthermore, B3PW91 is 3-4 orders of magnitude faster computationally. Hence, B3PW91 is a practical tool for predicting band gaps of materials before they are synthesized and represents a solution to the band gap prediction problem.« less

Tuning band gap of monolayer and bilayer SnS2 by strain effect and external electric field: A first principles calculations

NASA Astrophysics Data System (ADS)

Rahman, Abeera; Shin, Young-Han

Recently many efforts have been paid to two-dimensional layered metal dichalcogenides (LMDs). Among them MoS2 has become a prototype LMD, and recent studies show surprising and rich new physics emerging in other van der Waals materials such as layered SnS2 [1-4]. SnS2 is a semiconducting earth-abundant material and Sn is a group IV element replacing the transition metal in MoS2. SnS2 shows new possibilities in various potential applications. However, the knowledge on basic properties of layered SnS2 is still not well understood. In this study, we consider two types of structures; 1T with P 3 m 1 (164) space group and 1H with P63 / mmc (194) space group. Our first principles calculations show that the 1T structure for SnS2 is more stable than the 1H structure whereas latter is more stable for MoS2. Moreover,in contrast to MoS2,SnS2 shows an indirect band gap both for 1T and 1H structures while 1T MoS2 is metallic and 1H has a direct band gap. We also study strain effect in the range of 0-10% on the band structure for monolayer and bilayer SnS2 (both for 1T and 1H structures).We find significant change in their band gaps. We also investigate the bilayer SnS2 with and without out-of-plane stress. This research was supported by Brain Korea 21 Plus Program and Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT and future Planning (NRF-2014M3A7B4049367, NRF-2014R1A2A1A1105089).

Research on low-frequency band gap property of a hybrid phononic crystal

NASA Astrophysics Data System (ADS)

Dong, Yake; Yao, Hong; Du, Jun; Zhao, Jingbo; Chao, Ding; Wang, Benchi

2018-05-01

A hybrid phononic crystal has been investigated. The characteristic frequency of XY mode, transmission loss and displacement vector have been calculated by the finite element method. There are Bragg scattering band gap and local resonance band gap in the band structures. We studied the influence factors of band gap. There are many flat bands in the eigenfrequencies curve. There are many flat bands in the curve. The band gap covers a large range in low frequency. The band gaps cover more than 95% below 3000 Hz.

Tunable and sizable band gap in silicene by surface adsorption

PubMed Central

Quhe, Ruge; Fei, Ruixiang; Liu, Qihang; Zheng, Jiaxin; Li, Hong; Xu, Chengyong; Ni, Zeyuan; Wang, Yangyang; Yu, Dapeng; Gao, Zhengxiang; Lu, Jing

2012-01-01

Opening a sizable band gap without degrading its high carrier mobility is as vital for silicene as for graphene to its application as a high-performance field effect transistor (FET). Our density functional theory calculations predict that a band gap is opened in silicene by single-side adsorption of alkali atom as a result of sublattice or bond symmetry breaking. The band gap size is controllable by changing the adsorption coverage, with an impressive maximum band gap up to 0.50 eV. The ab initio quantum transport simulation of a bottom-gated FET based on a sodium-covered silicene reveals a transport gap, which is consistent with the band gap, and the resulting on/off current ratio is up to 108. Therefore, a way is paved for silicene as the channel of a high-performance FET. PMID:23152944

High band gap 2-6 and 3-5 tunneling junctions for silicon multijunction solar cells

NASA Technical Reports Server (NTRS)

Daud, Taher (Inventor); Kachare, Akaram H. (Inventor)

1986-01-01

A multijunction silicon solar cell of high efficiency is provided by providing a tunnel junction between the solar cell junctions to connect them in series. The tunnel junction is comprised of p+ and n+ layers of high band gap 3-5 or 2-6 semiconductor materials that match the lattice structure of silicon, such as GaP (band gap 2.24 eV) or ZnS (band gap 3.6 eV). Each of which has a perfect lattice match with silicon to avoid defects normally associated with lattice mismatch.

Development of a 670 GHz Extended Interaction Klystron Power Amplifier

DTIC Science & Technology

2011-03-01

Klystron Power Amplifier 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR( S ) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT...avelengths,” /40/EIK%20Tec W%20Wavelen oyski, R. Dobbs, act, High Power ction Klystron ,” Conf., Montere opments to the M or Modeling Cod 2005). ic...Research Projects Agency or the Department of Defense. Development of a 670 GHz Extended Interaction Klystron Power Amplifier David Chernin Science

Effects of interlayer Sn-Sn lone pair interaction on the band gap of bulk and nanosheet SnO

NASA Astrophysics Data System (ADS)

Umezawa, Naoto; Zhou, Wei

2015-03-01

Effects of interlayer lone-pair interactions on the electronic structure of SnO are firstly explored by the density-functional theory. Our comprehensive study reveals that the band gap of SnO opens as increase in the interlayer Sn-Sn distance. The effect is rationalized by the character of band edges which consists of bonding and anti-bonding states from interlayer lone pair interactions. The band edges for several nanosheets and strained double-layer SnO are estimated. We conclude that the double-layer SnO is a promising material for visible-light driven photocatalyst for hydrogen evolution. This work is supported by the Japan Science and Technology Agency (JST) Precursory Research for Embryonic Science and Technology (PRESTO) program.

Development of a high-power solid-state switch using static induction thyristors for a klystron modulator

NASA Astrophysics Data System (ADS)

Tokuchi, Akira; Kamitsukasa, Fumiyoshi; Furukawa, Kazuya; Kawase, Keigo; Kato, Ryukou; Irizawa, Akinori; Fujimoto, Masaki; Osumi, Hiroki; Funakoshi, Sousuke; Tsutsumi, Ryouta; Suemine, Shoji; Honda, Yoshihide; Isoyama, Goro

2015-01-01

We developed a solid-state switch with static induction thyristors for the klystron modulator of the L-band electron linear accelerator (linac) at the Institute of Scientific and Industrial Research, Osaka University. This switch is designed to have maximum specifications of a holding voltage of 25 kV and a current of 6 kA at the repetition frequency of 10 Hz for forced air cooling. The turn-on time of the switch was measured with a matched resistor to be 270 ns, which is sufficiently fast for the klystron modulator. The switch is retrofitted in the modulator to generate 1.3 GHz RF pulses with durations of either 4 or 8 μs using a 30 MW klystron, and the linac is successfully operated under maximum conditions. This finding demonstrates that the switch can be used as a high-power switch for the modulator. Pulse-to-pulse variations of the klystron voltage are measured to be less than 0.015%, and those of RF power and phase are lower than 0.15% and 0.1°, respectively. These values are significantly smaller than those obtained with a thyratron; hence, the stability of the main RF system is improved. The solid-state switch has been used in normal operation of the linac for more than a year without any serious trouble. Thus, we confirmed the switch's robustness and long-term reliability.

Energy band-gap calculations of short-period (ZnTe)m(ZnSe)n and (ZnS)m(ZnSe)n strained-layer superlattices

NASA Astrophysics Data System (ADS)

Wu, Yi-hong; Fujita, Shizuo; Fujita, Shigeo

1990-01-01

We report on the calculations of energy band gaps based on the semiempirical tight-binding model for short-period (ZnTe)m(ZnSe)n and (ZnS)m(ZnSe)n strained-layer superlattices (SLSs). During the calculation, much attention has been paid to the modeling of strain effect. It is found that (ZnTe)m(ZnSe)n superlattices grown on InAs, InP, and GaAs substrates show very different electronic properties from each other, which is consistent with experimental results now available. Assuming that the emission observed for (ZnTe)m(ZnSe)n SLS originates from intrinsic luminescence, we obtain an unstrained valence-band offset of 1.136±0.1 eV for this superlattice. On the other hand, the band gap of (ZnS)m(ZnSe)n superlattice grown coherently on GaP is found to exhibit a much stronger structure dependence than that grown coherently on GaAs. The difference of energy gap between superlattice with equal monolayers (m=n) and the corresponding alloy with equal chalcogenide composition is also discussed.

Modification in band gap of zirconium complexes

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

Sharma, Mayank, E-mail: mayank30134@gmail.com; Singh, J.; Chouhan, S.

2016-05-06

The optical properties of zirconium complexes with amino acid based Schiff bases are reported here. The zirconium complexes show interesting stereo chemical features, which are applicable in organometallic and organic synthesis as well as in catalysis. The band gaps of both Schiff bases and zirconium complexes were obtained by UV-Visible spectroscopy. It was found that the band gap of zirconium complexes has been modified after adding zirconium compound to the Schiff bases.

Band gaps in grid structure with periodic local resonator subsystems

NASA Astrophysics Data System (ADS)

Zhou, Xiaoqin; Wang, Jun; Wang, Rongqi; Lin, Jieqiong

2017-09-01

The grid structure is widely used in architectural and mechanical field for its high strength and saving material. This paper will present a study on an acoustic metamaterial beam (AMB) based on the normal square grid structure with local resonators owning both flexible band gaps and high static stiffness, which have high application potential in vibration control. Firstly, the AMB with variable cross-section frame is analytically modeled by the beam-spring-mass model that is provided by using the extended Hamilton’s principle and Bloch’s theorem. The above model is used for computing the dispersion relation of the designed AMB in terms of the design parameters, and the influences of relevant parameters on band gaps are discussed. Then a two-dimensional finite element model of the AMB is built and analyzed in COMSOL Multiphysics, both the dispersion properties of unit cell and the wave attenuation in a finite AMB have fine agreement with the derived model. The effects of design parameters of the two-dimensional model in band gaps are further examined, and the obtained results can well verify the analytical model. Finally, the wave attenuation performances in three-dimensional AMBs with equal and unequal thickness are presented and discussed.

Designing Phononic Crystals with Wide and Robust Band Gaps

NASA Astrophysics Data System (ADS)

Jia, Zian; Chen, Yanyu; Yang, Haoxiang; Wang, Lifeng

2018-04-01

Phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with wide and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.

Ultra-wide acoustic band gaps in pillar-based phononic crystal strips

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

Coffy, Etienne, E-mail: etienne.coffy@femto-st.fr; Lavergne, Thomas; Addouche, Mahmoud

2015-12-07

An original approach for designing a one dimensional phononic crystal strip with an ultra-wide band gap is presented. The strip consists of periodic pillars erected on a tailored beam, enabling the generation of a band gap that is due to both Bragg scattering and local resonances. The optimized combination of both effects results in the lowering and the widening of the main band gap, ultimately leading to a gap-to-midgap ratio of 138%. The design method used to improve the band gap width is based on the flattening of phononic bands and relies on the study of the modal energy distributionmore » within the unit cell. The computed transmission through a finite number of periods corroborates the dispersion diagram. The strong attenuation, in excess of 150 dB for only five periods, highlights the interest of such ultra-wide band gap phononic crystal strips.« less

Observation of the four wave mixing photonic band gap signal in electromagnetically induced grating.

PubMed

Ullah, Zakir; Wang, Zhiguo; Gao, Mengqin; Zhang, Dan; Zhang, Yiqi; Gao, Hong; Zhang, Yanpeng

2014-12-01

For the first time, we experimentally and theoretically research about the probe transmission signal (PTS), the reflected four wave mixing band gap signal(FWM BGS) and fluorescence signal (FLS) under the double dressing effect in an inverted Y-type four level system. FWM BGS results from photonic band gap structure. We demonstrate that the characteristics of PTS, FWM BGS and FLS can be controlled by power, phase and the frequency detuning of the dressing beams. It is observed in our experiment that FWM BGS switches from suppression to enhancement, corresponding to the switch from transmission enhancement to absorption enhancement in the PTS with changing the relative phase. We also observe the relation among the three signals, which satisfy the law of conservation of energy. Such scheme could have potential applications in optical diodes, amplifiers and quantum information processing.

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.

Towards coherent combining of X-band high power microwaves: phase-locked long pulse radiations by a relativistic triaxial klystron amplifier.

PubMed

Ju, Jinchuan; Zhang, Jun; Qi, Zumin; Yang, Jianhua; Shu, Ting; Zhang, Jiande; Zhong, Huihuang

2016-08-02

The radio-frequency breakdown due to ultrahigh electric field strength essentially limits power handling capability of an individual high power microwave (HPM) generator, and this issue becomes more challenging for high frequency bands. Coherent power combining therefore provides an alternative approach to achieve an equivalent peak power of the order of ∼100 GW, which consequently provides opportunities to explore microwave related physics at extremes. The triaxial klystron amplifier (TKA) is a promising candidate for coherent power combing in high frequency bands owing to its intrinsic merit of high power capacity, nevertheless phase-locked long pulse radiation from TKA has not yet been obtained experimentally as the coaxial structure of TKA can easily lead to self-excitation of parasitic modes. In this paper, we present investigations into an X-band TKA capable of producing 1.1 GW HPMs with pulse duration of about 103 ns at the frequency of 9.375 GHz in experiment. Furthermore, the shot-to-shot fluctuation standard deviation of the phase shifts between the input and output microwaves is demonstrated to be less than 10°. The reported achievements open up prospects for accomplishing coherent power combining of X-band HPMs in the near future, and might also excite new development interests concerning high frequency TKAs.

Designing Phononic Crystals with Wide and Robust Band Gaps

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

Jia, Zian; Chen, Yanyu; Yang, Haoxiang

Here, phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with widemore » and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.« less

Designing Phononic Crystals with Wide and Robust Band Gaps

DOE PAGES

Jia, Zian; Chen, Yanyu; Yang, Haoxiang; ...

2018-04-16

Here, phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with widemore » and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.« less

Energy band gaps in graphene nanoribbons with corners

NASA Astrophysics Data System (ADS)

Szczȩśniak, Dominik; Durajski, Artur P.; Khater, Antoine; Ghader, Doried

2016-05-01

In the present paper, we study the relation between the band gap size and the corner-corner length in representative chevron-shaped graphene nanoribbons (CGNRs) with 120° and 150° corner edges. The direct physical insight into the electronic properties of CGNRs is provided within the tight-binding model with phenomenological edge parameters, developed against recent first-principle results. We show that the analyzed CGNRs exhibit inverse relation between their band gaps and corner-corner lengths, and that they do not present a metal-insulator transition when the chemical edge modifications are introduced. Our results also suggest that the band gap width for the CGNRs is predominantly governed by the armchair edge effects, and is tunable through edge modifications with foreign atoms dressing.

A high-order mode extended interaction klystron at 0.34 THz

NASA Astrophysics Data System (ADS)

Wang, Dongyang; Wang, Guangqiang; Wang, Jianguo; Li, Shuang; Zeng, Peng; Teng, Yan

2017-02-01

We propose the concept of high-order mode extended interaction klystron (EIK) at the terahertz band. Compared to the conventional fundamental mode EIK, it operates at the TM31-2π mode, and its remarkable advantage is to obtain a large structure and good performance. The proposed EIK consists of five identical cavities with five gaps in each cavity. The method is discussed to suppress the mode competition and self-oscillation in the high-order mode cavity. Particle-in-cell simulation demonstrates that the EIK indeed operates at TM31-2π mode without self-oscillation while other modes are well suppressed. Driven by the electron beam with a voltage of 15 kV and a current of 0.3 A, the saturation gain of 43 dB and the output power of 60 W are achieved at the center frequency of 342.4 GHz. The EIK operating at high-order mode seems a promising approach to generate high power terahertz waves.

Surface origin and control of resonance Raman scattering and surface band gap in indium nitride

NASA Astrophysics Data System (ADS)

Alarcón-Lladó, Esther; Brazzini, Tommaso; Ager, Joel W.

2016-06-01

Resonance Raman scattering measurements were performed on indium nitride thin films under conditions where the surface electron concentration was controlled by an electrolyte gate. As the surface condition is tuned from electron depletion to accumulation, the spectral feature at the expected position of the (E 1, A 1) longitudinal optical (LO) near 590 cm-1 shifts to lower frequency. The shift is reversibly controlled with the applied gate potential, which clearly demonstrates the surface origin of this feature. The result is interpreted within the framework of a Martin double resonance, where the surface functions as a planar defect, allowing the scattering of long wavevector phonons. The allowed wavevector range, and hence the frequency, is modulated by the electron accumulation due to band gap narrowing. A surface band gap reduction of over 500 meV is estimated for the conditions of maximum electron accumulation. Under conditions of electron depletion, the full InN bandgap (E g  =  0.65 eV) is expected at the surface. The drastic change in the surface band gap is expected to influence the transport properties of devices which utilize the surface electron accumulation layer.

Tailoring of optical band gap by varying Zn content in Cd{sub 1-x}Zn{sub x}S thin films prepared by spray pyrolysis method

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

Kumar, Vipin, E-mail: vipinkumar28@yahoo.co.in; Sharma, D. K.; Agrawal, Sonalika

Cd{sub 1-X}Zn{sub X}S thin films (X = 0.2, 0.4, 0.6, 0.8) have been grown on glass substrate by spray pyrolysis technique using equimolar concentration aqueous solution of cadmium chloride, zinc acetate and thiourea. Prepared thin films have been characterized by UV-VIS spectrophotometer. The optical band gap of the films has been studied by transmission spectra in wavelength range 325-600nm. It has been observed that optical band gap increases with increasing zinc concentration. The optical band gap of these thin films varies from 2.59 to 3.20eV with increasing Zn content.

Band-Gap Engineering at a Semiconductor-Crystalline Oxide Interface

DOE PAGES

Jahangir-Moghadam, Mohammadreza; Ahmadi-Majlan, Kamyar; Shen, Xuan; ...

2015-02-09

The epitaxial growth of crystalline oxides on semiconductors provides a pathway to introduce new functionalities to semiconductor devices. Key to integrating the functionalities of oxides onto semiconductors is controlling the band alignment at interfaces between the two materials. Here we apply principles of band gap engineering traditionally used at heterojunctions between conventional semiconductors to control the band offset between a single crystalline oxide and a semiconductor. Reactive molecular beam epitaxy is used to realize atomically abrupt and structurally coherent interfaces between SrZr xTi 1-xO₃ and Ge, in which the band gap of the former is enhanced with Zr content x.more » We present structural and electrical characterization of SrZr xTi 1-xO₃-Ge heterojunctions and demonstrate a type-I band offset can be achieved. These results demonstrate that band gap engineering can be exploited to realize functional semiconductor crystalline oxide heterojunctions.« less

On the optical band gap of zinc oxide

NASA Astrophysics Data System (ADS)

Srikant, V.; Clarke, D. R.

1998-05-01

Three different values (3.1, 3.2, and 3.3 eV) have been reported for the optical band gap of zinc oxide single crystals at room temperature. By comparing the optical properties of ZnO crystals using a variety of optical techniques it is concluded that the room temperature band gap is 3.3 eV and that the other values are attributable to a valence band-donor transition at ˜3.15 eV that can dominate the optical absorption when the bulk of a single crystal is probed.

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.

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

Piezo-phototronic Effect Enhanced UV/Visible Photodetector Based on Fully Wide Band Gap Type-II ZnO/ZnS Core/Shell Nanowire Array.

PubMed

Rai, Satish C; Wang, Kai; Ding, Yong; Marmon, Jason K; Bhatt, Manish; Zhang, Yong; Zhou, Weilie; Wang, Zhong Lin

2015-06-23

A high-performance broad band UV/visible photodetector has been successfully fabricated on a fully wide bandgap ZnO/ZnS type-II heterojunction core/shell nanowire array. The device can detect photons with energies significantly smaller (2.2 eV) than the band gap of ZnO (3.2 eV) and ZnS (3.7 eV), which is mainly attributed to spatially indirect type-II transition facilitated by the abrupt interface between the ZnO core and ZnS shell. The performance of the device was further enhanced through the piezo-phototronic effect induced lowering of the barrier height to allow charge carrier transport across the ZnO/ZnS interface, resulting in three orders of relative responsivity change measured at three different excitation wavelengths (385, 465, and 520 nm). This work demonstrates a prototype UV/visible photodetector based on the truly wide band gap semiconducting 3D core/shell nanowire array with enhanced performance through the piezo-phototronic effect.

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.

Compositional dependence of optical band gap and refractive index in lead and bismuth borate glasses

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

Mallur, Saisudha B.; Czarnecki, Tyler; Adhikari, Ashish

2015-08-15

Highlights: • Refractive indices increase with increasing PbO/Bi{sub 2}O{sub 3} content. • Optical band gap arises due to direct forbidden transition. • Optical band gaps decrease with increasing PbO/Bi{sub 2}O{sub 3} content. • New empirical relation between the optical band gap and the refractive index. - Abstract: We prepared a series of lead and bismuth borate glasses by varying PbO/Bi{sub 2}O{sub 3} content and studied refractive index and optical band gap as a function of glass composition. Refractive indices were measured very accurately using a Brewster’s angle set up while the optical band gaps were determined by analyzing the opticalmore » absorption edge using the Mott–Davis model. Using the Lorentz–Lorentz method and the effective medium theory, we calculated the refractive indices and then compared them with the measured values. Bismuth borate glasses show better agreement between the calculated values of the refractive index and experimental values. We used a differential method based on Mott–Davis model to obtain the type of transition and optical band gap (E{sub opt}) which in turn was compared with the value of E{sub opt} obtained using the extinction coefficient. Our analysis shows that in both lead and bismuth borate glasses, the optical band gap arises due to direct forbidden transition. With increasing PbO/Bi{sub 2}O{sub 3} content, the absorption edge shifts toward longer wavelengths and the optical band gap decreases. This behavior can be explained in terms of changes to the Pb−O/Bi−O chemical bonds with glass composition. We obtained a new empirical relation between the optical band gap and the refractive index which can be used to accurately determine the electronic oxide polarizability in lead and bismuth oxide glasses.« less

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.

Labyrinth double split open loop resonator based bandpass filter design for S, C and X-band application

NASA Astrophysics Data System (ADS)

Alam, Jubaer; Faruque, Mohammad Rashed Iqbal; Tariqul Islam, Mohammad

2018-07-01

Nested circular shaped Labyrinth double split open loop resonators (OLRs) are introduced in this article to design a triple bandpass filter for 3.01 GHz, 7.39 GHz and 12.88 GHz applications. A Rogers RT-5880 is used as a substrate to design the proposed passband filter which has a succinct structure where the attainment of the resonator is explored both integrally and experimentally. The same structure is designed on both sides of the substrate and an analysis is made on the current distribution. Based on the proposed resonator, a bandpass filter is designed and fabricated to justify the perception focusing on 3.01 GHz, 7.39 GHz and 12.88 GHz. It has also been observed by the Nicolson–Ross–Weir approach at the filtering frequencies. The effective electromagnetic parameters retrieved from the simulation of the S-parameters imply that the OLR metamaterial filter shows negative refraction bands. Having an auspicious design and double negative characteristics, this structure is suitable for triple passband filters, particularly for S, C and X-band applications.

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.

Symmetries and band gaps in nanoribbons

NASA Astrophysics Data System (ADS)

Zhang, Zhiwei; Tian, Yiteng; Fernando, Gayanath; Kocharian, Armen

In ideal graphene-like systems, time reversal and sublattice symmetries preserve the degeneracies at the Dirac point(s). We have examined such degeneracies in the band structure as well as the transport properties in various arm-twisted (graphene-related) nanoribbons. A twist angle is defined such that at 0 degrees the ribbon is a rectangular ribbon and at 60 degrees the ribbon is cut from a honeycomb lattice. Using model Hamiltonians and first principles calculations in these nanoribbons with Z2 topology, we have monitored the band structure as a function of the twist angle θ. In twisted ribbons, it turns out that the introduction of an extra hopping term leads to a gap opening. We have also calculated the size and temperature broadening effects in similar ribbons in addition to Rashba-induced transport properties. The authors acknowledge the computing facilities provided by the Center for Functional Nanomaterials, Brookhaven National Laboratory supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No.DE-AC02- 98CH10886.

Band gap engineering of BC2N for nanoelectronic applications

NASA Astrophysics Data System (ADS)

Lim, Wei Hong; Hamzah, Afiq; Ahmadi, Mohammad Taghi; Ismail, Razali

2017-12-01

The BC2N as an example of boron-carbon-nitride (BCN), has the analogous structure as the graphene and boron nitride. It is predicted to have controllable electronic properties. Therefore, the analytical study on the engineer-able band gap of the BC2N is carried out based on the schematic structure of BC2N. The Nearest Neighbour Tight Binding (NNTB) model is employed with the dispersion relation and the density of state (DOS) as the main band gap analysing parameter. The results show that the hopping integrals having the significant effect on the band gap, band structure and DOS of BC2N nanowire (BC2NNW) need to be taken into consideration. The presented model indicates consistent trends with the published computational results around the Dirac points with the extracted band gap of 0.12 eV. Also, it is distinguished that wide energy gap of boron nitride (BN) is successfully narrowed by this carbon doped material which assures the application of BC2N on the nanoelectronics and optoelectronics in the near future.

Small band gap superlattices as intrinsic long wavelength infrared detector materials

NASA Technical Reports Server (NTRS)

Smith, Darryl L.; Mailhiot, C.

1990-01-01

Intrinsic long wavelength (lambda greater than or equal to 10 microns) infrared (IR) detectors are currently made from the alloy (Hg, Cd)Te. There is one parameter, the alloy composition, which can be varied to control the properties of this material. The parameter is chosen to set the band gap (cut-off wavelength). The (Hg, Cd)Te alloy has the zincblend crystal structure. Consequently, the electron and light-hole effective masses are essentially inversely proportional to the band gap. As a result, the electron and light-hole effective masses are very small (M sub(exp asterisk)/M sub o approx. M sub Ih/M sub o approx. less than 0.01) whereas the heavy-hole effective mass is ordinary size (M sub hh(exp asterisk)/M sub o approx. 0.4) for the alloy compositions required for intrinsic long wavelength IR detection. This combination of effective masses leads to rather easy tunneling and relatively large Auger transition rates. These are undesirable characteristics, which must be designed around, of an IR detector material. They follow directly from the fact that (Hg, Cd)Te has the zincblend crystal structure and a small band gap. In small band gap superlattices, such as HgTe/CdTe, In(As, Sb)/InSb and InAs/(Ga,In)Sb, the band gap is determined by the superlattice layer thicknesses as well as by the alloy composition (for superlattices containing an alloy). The effective masses are not directly related to the band gap and can be separately varied. In addition, both strain and quantum confinement can be used to split the light-hole band away from the valence band maximum. These band structure engineering options can be used to reduce tunneling probabilities and Auger transition rates compared with a small band gap zincblend structure material. Researchers discuss the different band structure engineering options for the various classes of small band gap superlattices.

Predicting a graphene-like WB4 nanosheet with a double Dirac cone, an ultra-high Fermi velocity and significant gap opening by spin-orbit coupling.

PubMed

Zhang, Chunmei; Jiao, Yalong; Ma, Fengxian; Bottle, Steven; Zhao, Mingwen; Chen, Zhongfang; Du, Aijun

2017-02-15

The zero-band gap nature of graphene prevents it from performing as a semi-conductor in modern electronics. Although various graphene modification strategies have been developed to address this limitation, the very small band gap of these materials and the suppressed charge carrier mobility of the devices developed still significantly hinder graphene's applications. In this work, a two dimensional (2D) WB 4 monolayer, which exhibits a double Dirac cone, was conceived and assessed using density functional theory (DFT) methods, which would provide a sizable band gap while maintaining higher charge mobility with a Fermi velocity of 1.099 × 10 6 m s -1 . Strong spin-orbit-coupling can generate an observable band gap of up to 0.27 eV that primarily originates from the d-orbit of the heavy metal atom W; therefore a 2D WB 4 nanosheet would be operable at room temperature (T = 300 K) and would be a promising candidate to fabricate nanoelectronics in the upcoming post-silicon era. The phonon-spectrum and ab initio molecular dynamics calculations further demonstrate the dynamic and thermal stability of such nanosheets, thus, suggesting a potentially synthesizable Dirac material.

Stability of direct band gap under mechanical strains for monolayer MoS2, MoSe2, WS2 and WSe2

NASA Astrophysics Data System (ADS)

Deng, Shuo; Li, Lijie; Li, Min

2018-07-01

Single layer transition-metal dichalcogenides materials (MoS2, MoSe2, WS2 and WSe2) are investigated using the first-principles method with the emphasis on their responses to mechanical strains. All these materials display the direct band gap under a certain range of strains from compressive to tensile (stable range). We have found that this stable range is different for these materials. Through studying on their mechanical properties again using the first-principles approach, it is unveiled that this stable strain range is determined by the Young's modulus. More analysis on strains induced electronic band gap properties have also been conducted.

Resonant tunneling diode based on band gap engineered graphene antidot structures

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

Palla, Penchalaiah, E-mail: penchalaiah.palla@vit.ac.in; Ethiraj, Anita S.; Raina, J. P.

The present work demonstrates the operation and performance of double barrier Graphene Antidot Resonant Tunnel Diode (DBGA-RTD). Non-Equilibrium Green’s Function (NEGF) frame work with tight-binding Hamiltonian and 2-D Poisson equations were solved self-consistently for device study. The interesting feature in this device is that it is an all graphene RTD with band gap engineered graphene antidot tunnel barriers. Another interesting new finding is that it shows negative differential resistance (NDR), which involves the resonant tunneling in the graphene quantum well through both the electron and hole bound states. The Graphene Antidot Lattice (GAL) barriers in this device efficiently improved themore » Peak to Valley Ratio to approximately 20 even at room temperature. A new fitting model is developed for the number of antidots and their corresponding effective barrier width, which will help in determining effective barrier width of any size of actual antidot geometry.« less

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

A coupler for parasitic mode diagnosis in an X-band triaxial klystron amplifier

NASA Astrophysics Data System (ADS)

Zhang, Wei; Ju, Jin-chuan; Zhang, Jun; Qi, Zu-min; Zhong, Hui-huang

2017-10-01

The traditional methods of parasitic mode excitation diagnosis in an X-band triaxial klystron amplifier (TKA) meet two difficulties: limited installation space and vacuum sealing. In order to solve these issues, a simple and compact coupler with good sealing performance, which can prevent air flow between the main and the auxiliary waveguides, is proposed and investigated experimentally. The coupler is designed with the aperture diffraction theory and the finite-different time-domain (FDTD) method. The designed coupler consists of a main coaxial waveguide (for microwave transmission) and a rectangular auxiliary waveguide (for parasitic mode diagnosis). The entire coupler structure has been fabricated by macromolecule polymer which is transparent to microwave signal in frequency range of X-band. The metal coating of about 200 microns has been performed through electroplating technique to ensure that the device operates well at high power. A small aperture is made in the metal coating. Hence, microwave can couple through the hole and the wave-transparent medium, whereas air flow is blocked by the wave-transparent medium. The coupling coefficient is analyzed and simulated with CST software. The coupler model is also included in particle-in-cell (PIC) simulation with CHIPIC software and the associated parasitic mode excitation is studied. A frequency component of 11.46 GHz is observed in the FFT of the electric field of the drift tube and its corresponding competition mode appears as TE61 mode according to the electric field distribution. Besides, a frequency component of 10.8 GHz is also observed in the FFT of the electric field. After optimization of TE61 mode suppression, an experiment of the TKA with the designed coupler is carried out and the parasitic mode excitation at 10.8 GHz is observed through the designed coupler.

Local band gap measurements by VEELS of thin film solar cells.

PubMed

Keller, Debora; Buecheler, Stephan; Reinhard, Patrick; Pianezzi, Fabian; Pohl, Darius; Surrey, Alexander; Rellinghaus, Bernd; Erni, Rolf; Tiwari, Ayodhya N

2014-08-01

This work presents a systematic study that evaluates the feasibility and reliability of local band gap measurements of Cu(In,Ga)Se2 thin films by valence electron energy-loss spectroscopy (VEELS). The compositional gradients across the Cu(In,Ga)Se2 layer cause variations in the band gap energy, which are experimentally determined using a monochromated scanning transmission electron microscope (STEM). The results reveal the expected band gap variation across the Cu(In,Ga)Se2 layer and therefore confirm the feasibility of local band gap measurements of Cu(In,Ga)Se2 by VEELS. The precision and accuracy of the results are discussed based on the analysis of individual error sources, which leads to the conclusion that the precision of our measurements is most limited by the acquisition reproducibility, if the signal-to-noise ratio of the spectrum is high enough. Furthermore, we simulate the impact of radiation losses on the measured band gap value and propose a thickness-dependent correction. In future work, localized band gap variations will be measured on a more localized length scale to investigate, e.g., the influence of chemical inhomogeneities and dopant accumulations at grain boundaries.

Broadening of effective photonic band gaps in biological chiral structures: From intrinsic narrow band gaps to broad band reflection spectra

NASA Astrophysics Data System (ADS)

Vargas, W. E.; Hernández-Jiménez, M.; Libby, E.; Azofeifa, D. E.; Solis, Á.; Barboza-Aguilar, C.

2015-09-01

Under normal illumination with non-polarized light, reflection spectra of the cuticle of golden-like and red Chrysina aurigans scarabs show a structured broad band of left-handed circularly polarized light. The polarization of the reflected light is attributed to a Bouligand-type left-handed chiral structure found through the scarab's cuticle. By considering these twisted structures as one-dimensional photonic crystals, a novel approach is developed from the dispersion relation of circularly polarized electromagnetic waves traveling through chiral media, to show how the broad band characterizing these spectra arises from an intrinsic narrow photonic band gap whose spectral position moves through visible and near-infrared wavelengths.

Band gap opening in α-graphyne by adsorption of organic molecule

NASA Astrophysics Data System (ADS)

Majidi, R.; Karami, A. R.

2014-09-01

The lack of a band gap limits the application of graphyne in nanoelectronic devices. We have investigated possibility of opening a band gap in α-graphyne by adsorption of tetracyanoethylene. The electronic property of α-graphyne in the presence of different numbers of tetracyanoethylene has been studied using density functional theory. It is found that charge is transferred from graphyne sheet to tetracyanoethylene molecules. In the presence of this electron acceptor molecule, a semimetal α-graphyne shows semiconducting property. The energy band gap at the Dirac point is enhanced by increasing the number of tetracyanoethylene. Our results provide a simple method to create and control the band gap in α-graphyne.

A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides.

PubMed

Linderälv, Christopher; Lindman, Anders; Erhart, Paul

2018-01-04

Wide band gap oxides are versatile materials with numerous applications in research and technology. Many properties of these materials are intimately related to defects, with the most important defect being the oxygen vacancy. Here, using electronic structure calculations, we show that the charge transition level (CTL) and eigenstates associated with oxygen vacancies, which to a large extent determine their electronic properties, are confined to a rather narrow energy range, even while band gap and the electronic structure of the conduction band vary substantially. Vacancies are classified according to their character (deep versus shallow), which shows that the alignment of electronic eigenenergies and CTL can be understood in terms of the transition between cavity-like localized levels in the large band gap limit and strong coupling between conduction band and vacancy states for small to medium band gaps. We consider both conventional and hybrid functionals and demonstrate that the former yields results in very good agreement with the latter provided that band edge alignment is taken into account.

Towards coherent combining of X-band high power microwaves: phase-locked long pulse radiations by a relativistic triaxial klystron amplifier

PubMed Central

Ju, Jinchuan; Zhang, Jun; Qi, Zumin; Yang, Jianhua; Shu, Ting; Zhang, Jiande; Zhong, Huihuang

2016-01-01

The radio-frequency breakdown due to ultrahigh electric field strength essentially limits power handling capability of an individual high power microwave (HPM) generator, and this issue becomes more challenging for high frequency bands. Coherent power combining therefore provides an alternative approach to achieve an equivalent peak power of the order of ∼100 GW, which consequently provides opportunities to explore microwave related physics at extremes. The triaxial klystron amplifier (TKA) is a promising candidate for coherent power combing in high frequency bands owing to its intrinsic merit of high power capacity, nevertheless phase-locked long pulse radiation from TKA has not yet been obtained experimentally as the coaxial structure of TKA can easily lead to self-excitation of parasitic modes. In this paper, we present investigations into an X-band TKA capable of producing 1.1 GW HPMs with pulse duration of about 103 ns at the frequency of 9.375 GHz in experiment. Furthermore, the shot-to-shot fluctuation standard deviation of the phase shifts between the input and output microwaves is demonstrated to be less than 10°. The reported achievements open up prospects for accomplishing coherent power combining of X-band HPMs in the near future, and might also excite new development interests concerning high frequency TKAs. PMID:27481661

Systematic analysis of the unique band gap modulation of mixed halide perovskites.

PubMed

Kim, Jongseob; Lee, Sung-Hoon; Chung, Choong-Heui; Hong, Ki-Ha

2016-02-14

Solar cells based on organic-inorganic hybrid metal halide perovskites have been proven to be one of the most promising candidates for the next generation thin film photovoltaic cells. Mixing Br or Cl into I-based perovskites has been frequently tried to enhance the cell efficiency and stability. One of the advantages of mixed halides is the modulation of band gap by controlling the composition of the incorporated halides. However, the reported band gap transition behavior has not been resolved yet. Here a theoretical model is presented to understand the electronic structure variation of metal mixed-halide perovskites through hybrid density functional theory. Comparative calculations in this work suggest that the band gap correction including spin-orbit interaction is essential to describe the band gap changes of mixed halides. In our model, both the lattice variation and the orbital interactions between metal and halides play key roles to determine band gap changes and band alignments of mixed halides. It is also presented that the band gap of mixed halide thin films can be significantly affected by the distribution of halide composition.

Experimental and theoretical investigation of relative optical band gaps in graphene generations

NASA Astrophysics Data System (ADS)

Bhatnagar, Deepika; Singh, Sukhbir; Yadav, Sriniwas; Kumar, Ashok; Kaur, Inderpreet

2017-01-01

Size and chemical functionalization dependant optical band gaps in graphene family nanomaterials were investigated by experimental and theoretical study using Tauc plot and density functional theory (DFT). We have synthesized graphene oxide through a modified Hummer’s method using graphene nanoplatelets and sequentially graphene quantum dots through hydrothermal reduction. The experimental results indicate that the optical band gap in graphene generations was altered by reducing the size of graphene sheets and attachment of chemical functionalities like epoxy, hydroxyl and carboxyl groups plays a crucial role in varying optical band gaps. It is further confirmed by DFT calculations that the π orbitals were more dominatingly participating in transitions shown by projected density of states and the molecular energy spectrum represented the effect of attached functional groups along with discreteness in energy levels. Theoretical results were found to be in good agreement with experimental results. All of the above different variants of graphene can be used in native or modified form for sensor design and optoelectronic applications.

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.

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.

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

Diluted magnetic semiconductors with narrow band gaps

NASA Astrophysics Data System (ADS)

Gu, Bo; Maekawa, Sadamichi

2016-10-01

We propose a method to realize diluted magnetic semiconductors (DMSs) with p - and n -type carriers by choosing host semiconductors with a narrow band gap. By employing a combination of the density function theory and quantum Monte Carlo simulation, we demonstrate such semiconductors using Mn-doped BaZn2As2 , which has a band gap of 0.2 eV. In addition, we found a nontoxic DMS Mn-doped BaZn2Sb2 , of which the Curie temperature Tc is predicted to be higher than that of Mn-doped BaZn2As2 , the Tc of which was up to 230 K in a recent experiment.

Band gaps in periodically magnetized homogeneous anisotropic media

NASA Astrophysics Data System (ADS)

Merzlikin, A. M.; Levy, M.; Vinogradov, A. P.; Wu, Z.; Jalali, A. A.

2010-11-01

In [A. M. Merzlikin, A. P. Vinogradov, A. V. Dorofeenko, M. Inoue, M. Levy, A. B. Granovsky, Physica B 394 (2007) 277] it is shown that in anisotropic magnetophotonic crystal made of anisotropic dielectric layers and isotropic magneto-optical layers the magnetization leads to formation of additional band gaps (BG) inside the Brillouin zones. Due to the weakness of the magneto-optical effects the width of these BG is much smaller than that of usual BG forming on the boundaries of Brillouin zones. In the present communication we show that though the anisotropy suppresses magneto-optical effects. An anisotropic magnetophotonic crystal made of anisotropic dielectric layers and anisotropic magneto-optical; the width of additional BG may be much greater than the width of the usual Brillouin BG. Anisotropy tends to suppress Brillouin zone boundary band gap formation because the anisotropy suppresses magneto-optical properties, while degenerate band gap formation occurs around points of effective isotropy and is not suppressed.

Perovskite-perovskite tandem photovoltaics with optimized band gaps

NASA Astrophysics Data System (ADS)

Eperon, Giles E.; Leijtens, Tomas; Bush, Kevin A.; Prasanna, Rohit; Green, Thomas; Wang, Jacob Tse-Wei; McMeekin, David P.; Volonakis, George; Milot, Rebecca L.; May, Richard; Palmstrom, Axel; Slotcavage, Daniel J.; Belisle, Rebecca A.; Patel, Jay B.; Parrott, Elizabeth S.; Sutton, Rebecca J.; Ma, Wen; Moghadam, Farhad; Conings, Bert; Babayigit, Aslihan; Boyen, Hans-Gerd; Bent, Stacey; Giustino, Feliciano; Herz, Laura M.; Johnston, Michael B.; McGehee, Michael D.; Snaith, Henry J.

2016-11-01

We demonstrate four- and two-terminal perovskite-perovskite tandem solar cells with ideally matched band gaps. We develop an infrared-absorbing 1.2-electron volt band-gap perovskite, FA0.75Cs0.25Sn0.5Pb0.5I3, that can deliver 14.8% efficiency. By combining this material with a wider-band gap FA0.83Cs0.17Pb(I0.5Br0.5)3 material, we achieve monolithic two-terminal tandem efficiencies of 17.0% with >1.65-volt open-circuit voltage. We also make mechanically stacked four-terminal tandem cells and obtain 20.3% efficiency. Notably, we find that our infrared-absorbing perovskite cells exhibit excellent thermal and atmospheric stability, not previously achieved for Sn-based perovskites. This device architecture and materials set will enable “all-perovskite” thin-film solar cells to reach the highest efficiencies in the long term at the lowest costs.

Strain-induced optical band gap variation of SnO 2 films

DOE PAGES

Rus, Stefania Florina; Ward, Thomas Zac; Herklotz, Andreas

2016-06-29

In this paper, thickness dependent strain relaxation effects are utilized to study the impact of crystal anisotropy on the optical band gap of epitaxial SnO 2 films grown by pulsed laser deposition on (0001)-oriented sapphire substrates. An X-ray diffraction analysis reveals that all films are under tensile biaxial in-plane strain and that strain relaxation occurs with increasing thickness. Variable angle spectroscopic ellipsometry shows that the optical band gap of the SnO 2 films continuously increases with increasing film thickness. This increase in the band gap is linearly related to the strain state of the films, which indicates that the mainmore » origin of the band gap change is strain relaxation. The experimental observation is in excellent agreement with results from density functional theory for biaxial in-plane strain. Our research demonstrates that strain is an effective way to tune the band gap of SnO 2 films and suggests that strain engineering is an appealing route to tailor the optical properties of oxide semiconductors.« less

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

Measurements of quasiparticle tunneling dynamics in a band-gap-engineered transmon qubit.

PubMed

Sun, L; DiCarlo, L; Reed, M D; Catelani, G; Bishop, Lev S; Schuster, D I; Johnson, B R; Yang, Ge A; Frunzio, L; Glazman, L; Devoret, M H; Schoelkopf, R J

2012-06-08

We have engineered the band gap profile of transmon qubits by combining oxygen-doped Al for tunnel junction electrodes and clean Al as quasiparticle traps to investigate energy relaxation due to quasiparticle tunneling. The relaxation time T1 of the qubits is shown to be insensitive to this band gap engineering. Operating at relatively low-E(J)/E(C) makes the transmon transition frequency distinctly dependent on the charge parity, allowing us to detect the quasiparticles tunneling across the qubit junction. Quasiparticle kinetics have been studied by monitoring the frequency switching due to even-odd parity change in real time. It shows the switching time is faster than 10  μs, indicating quasiparticle-induced relaxation has to be reduced to achieve T1 much longer than 100  μs.

Photonic band gap spectra in Octonacci metamaterial quasicrystals

NASA Astrophysics Data System (ADS)

Brandão, E. R.; Vasconcelos, M. S.; Albuquerque, E. L.; Fulco, U. L.

2017-02-01

In this work we study theoretically the photonic band gap spectra for a one-dimensional quasicrystal made up of SiO2 (layer A) and a metamaterial (layer B) organized following the Octonacci sequence, where its nth-stage Sn is given by the inflation rule Sn =Sn - 1Sn - 2Sn - 1 for n ≥ 3 , with initial conditions S1 = A and S2 = B . The metamaterial is characterized by a frequency dependent electric permittivity ε(ω) and magnetic permeability μ(ω) . The polariton dispersion relation is obtained analytically by employing a theoretical calculation based on a transfer-matrix approach. A quantitative analysis of the spectra is then discussed, stressing the distribution of the allowed photonic band widths for high generations of the Octonacci structure, which depict a self-similar scaling property behavior, with a power law depending on the common in-plane wavevector kx .

Sub-band-gap absorption in Ga2O3

NASA Astrophysics Data System (ADS)

Peelaers, Hartwin; Van de Walle, Chris G.

2017-10-01

β-Ga2O3 is a transparent conducting oxide that, due to its large bandgap of 4.8 eV, exhibits transparency into the UV. However, the free carriers that enable the conductivity can absorb light. We study the effect of free carriers on the properties of Ga2O3 using hybrid density functional theory. The presence of free carriers leads to sub-band-gap absorption and a Burstein-Moss shift in the onset of absorption. We find that for a concentration of 1020 carriers, the Fermi level is located 0.23 eV above the conduction-band minimum. This leads to an increase in the electron effective mass from 0.27-0.28 me to 0.35-0.37 me and a sub-band-gap absorption band with a peak value of 0.6 × 103 cm-1 at 3.37 eV for light polarized along the x or z direction. Both across-the-gap and free-carrier absorption depend strongly on the polarization of the incoming light. We also provide parametrizations of the conduction-band shape and the effective mass as a function of the Fermi level.

Estimation of photonic band gap in the hollow core cylindrical multilayer structure

NASA Astrophysics Data System (ADS)

Chourasia, Ritesh Kumar; Singh, Vivek

2018-04-01

The propagation characteristic of two hollow core cylindrical multilayer structures having high and low refractive index contrast of cladding regions have been studied and compared at two design wavelengths i.e. 1550 nm and 632.8 nm. With the help of transfer matrix method a relation between the incoming light wave and outgoing light wave has been developed using the boundary matching technique. In high refractive index contrast, small numbers of layers are sufficient to provide perfect band gap in both design wavelengths. The spectral position and width of band gap is highly depending on the optical path of incident light in all considered cases. For sensing application, the sensitivity of waveguide can be obtained either by monitoring the width of photonic band gap or by monitoring the spectral shift of photonic band gap. Change in the width of photonic band gap with the core refractive index is larger in high refractive index contrast of cladding materials. However, in the case of monitoring the spectral shift of band gap, the obtained sensitivity is large for low refractive index contrast of cladding materials and further it increases with increase of design wavelength.

ANATOMICAL RECONSTRUCTION OF ANTERIOR CRUCIATE LIGAMENT OF THE KNEE: DOUBLE BAND OR SINGLE BAND?

PubMed

Zanella, Luiz Antonio Zanotelli; Junior, Adair Bervig; Badotti, Augusto Alves; Michelin, Alexandre Froes; Algarve, Rodrigo Ilha; de Quadros Martins, Cesar Antonio

2012-01-01

To evaluate the double-band and single-band techniques for anatomical reconstruction of the anterior cruciate ligament of the knee and demonstrate that the double-band technique not only provides greater anterior stability but also causes less pain and a better subjective patient response. We selected 42 patients who underwent anterior cruciate ligament reconstruction, by means of either the single-band anatomical reconstruction technique, using flexor tendon grafts with two tunnels, or the double-band anatomical reconstruction technique, using four tunnels and grafts from the semitendinosus and gracilis tendons. All fixations were performed using interference screws. There was no variation in the sample. Before the operation, the objective and subjective IKDC scores, Lysholm score and length of time with the injury were evaluated. All these variables were reassessed six months later, and the KT-1000 correlation with the contralateral knee was also evaluated. There was no significant difference between the two groups in subjective evaluations, but the single-band group showed better results in relation to range of motion and objective evaluations including KT-1000 (with statistical significance). Our study demonstrated that there was no difference between the two groups in subjective evaluations, but better results were found using the single-band anatomical technique, in relation to objective evaluations.

ANATOMICAL RECONSTRUCTION OF ANTERIOR CRUCIATE LIGAMENT OF THE KNEE: DOUBLE BAND OR SINGLE BAND?

PubMed Central

Zanella, Luiz Antonio Zanotelli; Junior, Adair Bervig; Badotti, Augusto Alves; Michelin, Alexandre Froes; Algarve, Rodrigo Ilha; de Quadros Martins, Cesar Antonio

2015-01-01

Objective: To evaluate the double-band and single-band techniques for anatomical reconstruction of the anterior cruciate ligament of the knee and demonstrate that the double-band technique not only provides greater anterior stability but also causes less pain and a better subjective patient response. Methods: We selected 42 patients who underwent anterior cruciate ligament reconstruction, by means of either the single-band anatomical reconstruction technique, using flexor tendon grafts with two tunnels, or the double-band anatomical reconstruction technique, using four tunnels and grafts from the semitendinosus and gracilis tendons. All fixations were performed using interference screws. There was no variation in the sample. Before the operation, the objective and subjective IKDC scores, Lysholm score and length of time with the injury were evaluated. All these variables were reassessed six months later, and the KT-1000 correlation with the contralateral knee was also evaluated. Results: There was no significant difference between the two groups in subjective evaluations, but the single-band group showed better results in relation to range of motion and objective evaluations including KT-1000 (with statistical significance). Conclusion: Our study demonstrated that there was no difference between the two groups in subjective evaluations, but better results were found using the single-band anatomical technique, in relation to objective evaluations. PMID:27042621

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.

Voltage-matched, monolithic, multi-band-gap devices

DOEpatents

Wanlass, Mark W.; Mascarenhas, Angelo

2006-08-22

Monolithic, tandem, photonic cells include at least a first semiconductor layer and a second semiconductor layer, wherein each semiconductor layer includes an n-type region, a p-type region, and a given band-gap energy. Formed within each semiconductor layer is a sting of electrically connected photonic sub-cells. By carefully selecting the numbers of photonic sub-cells in the first and second layer photonic sub-cell string(s), and by carefully selecting the manner in which the sub-cells in a first and second layer photonic sub-cell string(s) are electrically connected, each of the first and second layer sub-cell strings may be made to achieve one or more substantially identical electrical characteristics.

Voltage-Matched, Monolithic, Multi-Band-Gap Devices

DOEpatents

Wanlass, M. W.; Mascarenhas, A.

2006-08-22

Monolithic, tandem, photonic cells include at least a first semiconductor layer and a second semiconductor layer, wherein each semiconductor layer includes an n-type region, a p-type region, and a given band-gap energy. Formed within each semiconductor layer is a string of electrically connected photonic sub-cells. By carefully selecting the numbers of photonic sub-cells in the first and second layer photonic sub-cell string(s), and by carefully selecting the manner in which the sub-cells in a first and second layer photonic sub-cell string(s) are electrically connected, each of the first and second layer sub-cell strings may be made to achieve one or more substantially identical electrical characteristics.

Narrow Band Gap Lead Sulfide Hole Transport Layers for Quantum Dot Photovoltaics.

PubMed

Zhang, Nanlin; Neo, Darren C J; Tazawa, Yujiro; Li, Xiuting; Assender, Hazel E; Compton, Richard G; Watt, Andrew A R

2016-08-24

The band structure of colloidal quantum dot (CQD) bilayer heterojunction solar cells is optimized using a combination of ligand modification and QD band gap control. Solar cells with power conversion efficiencies of up to 9.33 ± 0.50% are demonstrated by aligning the absorber and hole transport layers (HTL). Key to achieving high efficiencies is optimizing the relative position of both the valence band and Fermi energy at the CQD bilayer interface. By comparing different band gap CQDs with different ligands, we find that a smaller band gap CQD HTL in combination with a more p-type-inducing CQD ligand is found to enhance hole extraction and hence device performance. We postulate that the efficiency improvements observed are largely due to the synergistic effects of narrower band gap QDs, causing an upshift of valence band position due to 1,2-ethanedithiol (EDT) ligands and a lowering of the Fermi level due to oxidation.

Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures.

PubMed

Warmuth, Franziska; Körner, Carolin

2015-12-02

The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented.

Project oriented klystron developments in Japan, China and India

NASA Astrophysics Data System (ADS)

Fukuda, Shigeki

2017-12-01

Modern accelerators are based on the rf technology and the klystron is the one of key components. Some special accelerator projects require their specified klystrons i.e., project-oriented klystrons. In this paper, project-oriented klystron developments for a decade in Japan are described. Related projects are ILC, cERL and SKEKB. Usually klystron is very expensive but has a finite life and needs to procure again. Trial to introduce the compatible tubes and have a competitive tender to reduce the cost is described. At the same time, since an efficiency improvement is one of the recent trend, such an attempt is also presented. International klystron collaboration among the Asian countries has been performed for a long time. In this paper, collaboration with China and India is introduced. Since topics are covered mainly author's experience, related counties described are limited.

Ultrawide bandgap pentamode metamaterials with an asymmetric double-cone outside profile

NASA Astrophysics Data System (ADS)

Chu, Yangyang; Li, Yucheng; Cai, Chengxin; Liu, Guangshuan; Wang, Zhaohong; Xu, Zhuo

2018-03-01

The band-gap characteristic is an important feature of acoustic metamaterials, which has important theoretical and practical significance in acoustic devices. Pentamode metamaterials (PMs) with phonon band-gap characteristics based on an asymmetric double-cone outside profile are presented and studied in this paper. The phonon band structures of these PMs are calculated by using the finite element method. In addition to the single-mode band-gaps, the complete 3D band-gaps are also obtained by changing the outside profile of the double-cone. Moreover, by adjusting the outside profile and the diameter of the double-cone to reduce the symmetry of the structure, the complete 3D band-gap can be widened. Further parametric analysis is presented to investigate the effect of geometrical parameters on the phonon band-gap property, the numerical simulations show that the maximum relative bandwidth is expanded by 15.14 times through reducing the symmetry of the structure. This study provides a possible way for PMs to control elastic wave propagation in the field of depressing vibration and noise, acoustic filtering and acoustic cloaking.

Tuning the band gap in silicene by oxidation.

PubMed

Du, Yi; Zhuang, Jincheng; Liu, Hongsheng; Xu, Xun; Eilers, Stefan; Wu, Kehui; Cheng, Peng; Zhao, Jijun; Pi, Xiaodong; See, Khay Wai; Peleckis, Germanas; Wang, Xiaolin; Dou, Shi Xue

2014-10-28

Silicene monolayers grown on Ag(111) surfaces demonstrate a band gap that is tunable by oxygen adatoms from semimetallic to semiconducting type. With the use of low-temperature scanning tunneling microscopy, we find that the adsorption configurations and amounts of oxygen adatoms on the silicene surface are critical for band gap engineering, which is dominated by different buckled structures in √13 × √13, 4 × 4, and 2√3 × 2√3 silicene layers. The Si-O-Si bonds are the most energy-favored species formed on √13 × √13, 4 × 4, and 2√3 × 2√3 structures under oxidation, which is verified by in situ Raman spectroscopy as well as first-principles calculations. The silicene monolayers retain their structures when fully covered by oxygen adatoms. Our work demonstrates the feasibility of tuning the band gap of silicene with oxygen adatoms, which, in turn, expands the base of available two-dimensional electronic materials for devices with properties that is hardly achieved with graphene oxide.

rf design of a pulse compressor with correction cavity chain for klystron-based compact linear collider

NASA Astrophysics Data System (ADS)

Wang, Ping; Zha, Hao; Syratchev, Igor; Shi, Jiaru; Chen, Huaibi

2017-11-01

We present an X-band high-power pulse compression system for a klystron-based compact linear collider. In this system design, one rf power unit comprises two klystrons, a correction cavity chain, and two SLAC Energy Doubler (SLED)-type X-band pulse compressors (SLEDX). An rf pulse passes the correction cavity chain, by which the pulse shape is modified. The rf pulse is then equally split into two ways, each deploying a SLEDX to compress the rf power. Each SLEDX produces a short pulse with a length of 244 ns and a peak power of 217 MW to power four accelerating structures. With the help of phase-to-amplitude modulation, the pulse has a dedicated shape to compensate for the beam loading effect in accelerating structures. The layout of this system and the rf design and parameters of the new pulse compressor are described in this work.

Hollow-Core Photonic Band Gap Fibers for Particle Acceleration

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

Noble, Robert J.; Spencer, James E.; /SLAC

Photonic band gap (PBG) dielectric fibers with hollow cores are being studied both theoretically and experimentally for use as laser driven accelerator structures. The hollow core functions as both a longitudinal waveguide for the transverse-magnetic (TM) accelerating fields and a channel for the charged particles. The dielectric surrounding the core is permeated by a periodic array of smaller holes to confine the mode, forming a photonic crystal fiber in which modes exist in frequency pass-bands, separated by band gaps. The hollow core acts as a defect which breaks the crystal symmetry, and so-called defect, or trapped modes having frequencies inmore » the band gap will only propagate near the defect. We describe the design of 2-D hollow-core PBG fibers to support TM defect modes with high longitudinal fields and high characteristic impedance. Using as-built dimensions of industrially-made fibers, we perform a simulation analysis of the first prototype PBG fibers specifically designed to support speed-of-light TM modes.« less

Tunable band gaps in bio-inspired periodic composites with nacre-like microstructure

NASA Astrophysics Data System (ADS)

Chen, Yanyu; Wang, Lifeng

2014-08-01

Periodic composite materials have many promising applications due to their unique ability to control the propagation of waves. Here, we report the existence and frequency tunability of complete elastic wave band gaps in bio-inspired periodic composites with nacre-like, brick-and-mortar microstructure. Numerical results show that complete band gaps in these periodic composites derive from local resonances or Bragg scattering, depending on the lattice angle and the volume fraction of each phase in the composites. The investigation of elastic wave propagation in finite periodic composites validates the simulated complete band gaps and further reveals the mechanisms leading to complete band gaps. Moreover, our results indicate that the topological arrangement of the mineral platelets and changes of material properties can be utilized to tune the evolution of complete band gaps. Our finding provides new opportunities to design mechanically robust periodic composite materials for wave absorption under hostile environments, such as for deep water applications.

Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures

PubMed Central

Warmuth, Franziska; Körner, Carolin

2015-01-01

The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented. PMID:28793713

AFM investigation and optical band gap study of chemically deposited PbS thin films

NASA Astrophysics Data System (ADS)

Zaman, S.; Mansoor, M.; Abubakar; Asim, M. M.

2016-08-01

The interest into deposition of nanocrystalline PbS thin films, the potential of designing and tailoring both the topographical features and the band gap energy (Eg) by controlling growth parameters, has significant technological importance. Nanocrystalline thin films of lead sulfide were grown onto glass substrates by chemical bath deposition (CBD) method. The experiments were carried out by varying deposition temperature. We report on the modification of structural and optical properties as a function of deposition temperature. The morphological changes of the films were analyzed by using SEM and AFM. AFM was also used to calculate average roughness of the films. XRD spectra indicated preferred growth of cubic phase of PbS films in (200) direction with increasing deposition time. Optical properties have been studied by UV-Spectrophotometer. From the diffused reflectance spectra we have calculated the optical Eg shift from 0.649-0.636 eV with increasing deposition time.

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.

A note on anomalous band-gap variations in semiconductors with temperature

NASA Astrophysics Data System (ADS)

Chakraborty, P. K.; Mondal, B. N.

2018-03-01

An attempt is made to theoretically study the band-gap variations (ΔEg) in semiconductors with temperature following the works, did by Fan and O'Donnell et al. based on thermodynamic functions. The semiconductor band-gap reflects the bonding energy. An increase in temperature changes the chemical bondings, and electrons are promoted from valence band to conduction band. In their analyses, they made several approximations with respect to temperature and other fitting parameters leading to real values of band-gap variations with linear temperature dependences. In the present communication, we have tried to re-analyse the works, specially did by Fan, and derived an analytical model for ΔEg(T). Because, it was based on the second-order perturbation technique of thermodynamic functions. Our analyses are made without any approximations with respect to temperatures and other fitting parameters mentioned in the text, leading to a complex functions followed by an oscillating nature of the variations of ΔEg. In support of the existence of the oscillating energy band-gap variations with temperature in a semiconductor, possible physical explanations are provided to justify the experimental observation for various materials.

Atomic scale origins of sub-band gap optical absorption in gold-hyperdoped silicon

NASA Astrophysics Data System (ADS)

Ferdous, Naheed; Ertekin, Elif

2018-05-01

Gold hyperdoped silicon exhibits room temperature sub band gap optical absorption, with potential applications as infrared absorbers/detectors and impurity band photovoltaics. We use first-principles density functional theory to establish the origins of the sub band gap response. Substitutional gold AuSi and substitutional dimers AuSi - AuSi are found to be the energetically preferred defect configurations, and AuSi gives rise to partially filled mid-gap defect bands well offset from the band edges. AuSi is predicted to offer substantial sub-band gap absorption, exceeding that measured in prior experiments by two orders of magnitude for similar Au concentration. This suggests that in experimentally realized systems, in addition to AuSi, the implanted gold is accommodated by the lattice in other ways, including other defect complexes and gold precipitates. We further identify that it is energetically favorable for isolated AuSi to form AuSi - AuSi, which by contrast do not exhibit mid-gap states. The formation of dimers and other complexes could serve as nuclei in the earliest stages of Au precipitation, which may be responsible for the observed rapid deactivation of sub-band gap response upon annealing.

Uniaxial strain on graphene: Raman spectroscopy study and band-gap opening.

PubMed

Ni, Zhen Hua; Yu, Ting; Lu, Yun Hao; Wang, Ying Ying; Feng, Yuan Ping; Shen, Ze Xiang

2008-11-25

Graphene was deposited on a transparent and flexible substrate, and tensile strain up to approximately 0.8% was loaded by stretching the substrate in one direction. Raman spectra of strained graphene show significant red shifts of 2D and G band (-27.8 and -14.2 cm(-1) per 1% strain, respectively) because of the elongation of the carbon-carbon bonds. This indicates that uniaxial strain has been successfully applied on graphene. We also proposed that, by applying uniaxial strain on graphene, tunable band gap at K point can be realized. First-principle calculations predicted a band-gap opening of approximately 300 meV for graphene under 1% uniaxial tensile strain. The strained graphene provides an alternative way to experimentally tune the band gap of graphene, which would be more efficient and more controllable than other methods that are used to open the band gap in graphene. Moreover, our results suggest that the flexible substrate is ready for such a strain process, and Raman spectroscopy can be used as an ultrasensitive method to determine the strain.

Quasiparticle band gap in the topological insulator Bi2Te3

NASA Astrophysics Data System (ADS)

Nechaev, I. A.; Chulkov, E. V.

2013-10-01

We present a theoretical study of dispersion of states that form the bulk band-gap edges in the three-dimensional topological insulator Bi2Te3. Within density functional theory, we analyze the effect of atomic positions varied within the error range of the available experimental data and approximation chosen for the exchange-correlation functional on the bulk band gap and k-space location of valence- and conduction-band extrema. For each set of the positions with different exchange-correlation functionals, we show how many-body corrections calculated within a one-shot GW approach affect the mentioned characteristics of electronic structure of Bi2Te3. We thus also illustrate to what degree the one-shot GW results are sensitive to the reference one-particle band structure in the case of bismuth telluride. We found that for this topological insulator the GW corrections enlarge the fundamental band gap and for certain atomic positions and reference band structure bring its value in close agreement with experiment.

Direct band gap silicon crystals predicted by an inverse design method

NASA Astrophysics Data System (ADS)

Oh, Young Jun; Lee, In-Ho; Lee, Jooyoung; Kim, Sunghyun; Chang, Kee Joo

2015-03-01

Cubic diamond silicon has an indirect band gap and does not absorb or emit light as efficiently as other semiconductors with direct band gaps. Thus, searching for Si crystals with direct band gaps around 1.3 eV is important to realize efficient thin-film solar cells. In this work, we report various crystalline silicon allotropes with direct and quasi-direct band gaps, which are predicted by the inverse design method which combines a conformation space annealing algorithm for global optimization and first-principles density functional calculations. The predicted allotropes exhibit energies less than 0.3 eV per atom and good lattice matches, compared with the diamond structure. The structural stability is examined by performing finite-temperature ab initio molecular dynamics simulations and calculating the phonon spectra. The absorption spectra are obtained by solving the Bethe-Salpeter equation together with the quasiparticle G0W0 approximation. For several allotropes with the band gaps around 1 eV, photovoltaic efficiencies are comparable to those of best-known photovoltaic absorbers such as CuInSe2. This work is supported by the National Research Foundation of Korea (2005-0093845 and 2008-0061987), Samsung Science and Technology Foundation (SSTF-BA1401-08), KIAS Center for Advanced Computation, and KISTI (KSC-2013-C2-040).

Band gap and refractive index tunability in thallium based layered mixed crystals

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

Gasanly, N. M., E-mail: nizami@metu.edu.tr; Virtual International Scientific Research Centre, Baku State University, Baku 1148

2015-07-21

Compositional variation of the band gap energy and refractive index of TlMeX{sub 2}-type (Me = Ga or In and X = S or Se) layered mixed crystals have been studied by the transmission and reflection measurements in the wavelength range of 400–1100 nm. The analysis of absorption data of TlGa{sub 1-x}In{sub x}Se{sub 2}, TlGa(S{sub 1−x}Se{sub x}){sub 2}, TlGa{sub 1−x}In{sub x}S{sub 2}, and TlIn(Se{sub 1−x}S{sub x}){sub 2} mixed crystals revealed the presence of both optical indirect and direct transitions. It was found that the energy band gaps of mixed crystals decrease at the replacing of gallium atoms by indium and of sulfur atoms by selenium ones.more » Through the similar replacing of atoms (smaller atoms by larger ones) in the studied mixed crystals, the refractive index shows the quite opposite behavior.« less

Design of a New Water Load for S-band 750 kW Continuous Wave High Power Klystron Used in EAST Tokamak

NASA Astrophysics Data System (ADS)

Liu, Liang; Liu, Fukun; Shan, Jiafang; Kuang, Guangli

2007-04-01

In order to test the klystrons operated at a frequency of 3.7 GHz in a continuous wave (CW) mode, a type of water load to absorb its power up to 750 kW is presented. The distilled water sealed with an RF ceramic window is used as the absorbent. At a frequency range of 70 MHz, the VSWR (Voltage Standing Wave Ratio) is below 1.2, and the rise in temperature of water is about 30 oC at the highest power level.

Optimization,Modeling, and Control: Applications to Klystron Designing and Hepatitis C Virus Dynamics

NASA Astrophysics Data System (ADS)

Lankford, George Bernard

In this dissertation, we address applying mathematical and numerical techniques in the fields of high energy physics and biomedical sciences. The first portion of this thesis presents a method for optimizing the design of klystron circuits. A klystron is an electron beam tube lined with cavities that emit resonant frequencies to velocity modulate electrons that pass through the tube. Radio frequencies (RF) inserted in the klystron are amplified due to the velocity modulation of the electrons. The routine described in this work automates the selection of cavity positions, resonant frequencies, quality factors, and other circuit parameters to maximize the efficiency with required gain. The method is based on deterministic sampling methods. We will describe the procedure and give several examples for both narrow and wide band klystrons, using the klystron codes AJDISK (Java) and TESLA (Python). The rest of the dissertation is dedicated to developing, calibrating and using a mathematical model for hepatitis C dynamics with triple drug combination therapy. Groundbreaking new drugs, called direct acting antivirals, have been introduced recently to fight off chronic hepatitis C virus infection. The model we introduce is for hepatitis C dynamics treated with the direct acting antiviral drug, telaprevir, along with traditional interferon and ribavirin treatments to understand how this therapy affects the viral load of patients exhibiting different types of response. We use sensitivity and identifiability techniques to determine which parameters can be best estimated from viral load data. We use these estimations to give patient-specific fits of the model to partial viral response, end-of-treatment response, and breakthrough patients. We will then revise the model to incorporate an immune response dynamic to more accurately describe the dynamics. Finally, we will implement a suboptimal control to acquire a drug treatment regimen that will alleviate the systemic cost

Single-junction solar cells with the optimum band gap for terrestrial concentrator applications

DOEpatents

Wanlass, Mark W.

1994-01-01

A single-junction solar cell having the ideal band gap for terrestrial concentrator applications. Computer modeling studies of single-junction solar cells have shown that the presence of absorption bands in the direct spectrum has the effect of "pinning" the optimum band gap for a wide range of operating conditions at a value of 1.14.+-.0.02 eV. Efficiencies exceeding 30% may be possible at high concentration ratios for devices with the ideal band gap.

Investigations of the Nonlinear Optical Response of Composite and Photonic Band Gap Materials

DTIC Science & Technology

1998-11-01

M. J. Bloemer, M. Scalora , J. P. Dowling, and C. M. Bowden, "Measurement of spontaneous-emission enhancement near the one-dimensional photonic band...with applications to photonic band structures," Phys. Rev. A 46, 612 (1992). 5. M. Scalora , J. P. Dowling, M. Tocci, M. J. Bloemer, C. M. Bowden, and...J. W. Haus, "Dipole emission rates in one-dimensional photonic band-gap materials," Appl. Phys. B 60, S57 (1995). 6. J. P. Dowling, M. Scalora , M. J

Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO2

PubMed Central

Waterhouse, G. I. N.; Wahab, A. K.; Al-Oufi, M.; Jovic, V.; Anjum, D. H.; Sun-Waterhouse, D.; Llorca, J.; Idriss, H.

2013-01-01

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. PMID:24108361

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

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

Pulsed laser deposited BexZn1-xO1-ySy quaternary alloy films: structure, composition, and band gap bowing

NASA Astrophysics Data System (ADS)

Zhang, Wuzhong; Xu, Maji; Zhang, Mi; Cheng, Hailing; Li, Mingkai; Zhang, Qingfeng; Lu, Yinmei; Chen, Jingwen; Chen, Changqing; He, Yunbin

2018-03-01

In this work, c-axis preferentially oriented BexZn1-xO1-ySy (BeZnOS) quaternary alloy films were prepared successfully on c-plane sapphire by pulsed laser deposition for the first time. By appropriate adjustment of O2 pressure during the deposition, the grown films exhibited a single-phase hexagonal structure and good crystalline quality. The solid solubility of S in BexZn1-xO1-ySy quaternary alloy was significantly expanded (y ≤ 0.17 or y ≥ 0.35) as a result of simultaneous substitution of cation Zn2+ by smaller Be2+ and anion O2- by bigger S2-. Besides, due to the introduction of BeO with a wide band gap, BeZnOS quaternary films exhibited wider band gaps than the ternary ZnOS films with similar S contents. As the O2 pressure increased from 0.05 Pa to 6 Pa, the band gap of BeZnOS displayed an interesting bowing behavior. The variation range of the band gap was between 3.55 eV and 3.10 eV. The BeZnOS films with a wide band gap show potential applications in fabricating optoelectronic devices such as UV-detectors.

Single-junction solar cells with the optimum band gap for terrestrial concentrator applications

DOEpatents

Wanlass, M.W.

1994-12-27

A single-junction solar cell is described having the ideal band gap for terrestrial concentrator applications. Computer modeling studies of single-junction solar cells have shown that the presence of absorption bands in the direct spectrum has the effect of ''pinning'' the optimum band gap for a wide range of operating conditions at a value of 1.14[+-]0.02 eV. Efficiencies exceeding 30% may be possible at high concentration ratios for devices with the ideal band gap. 7 figures.

Design of the klystron filament power supply control system for EAST LHCD

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

Wu, Zege; Wang, Mao; Hu, Huaichuan

A filament is a critical component of the klystron used to heat the cathode. There are totally 44 klystrons in experimental advanced superconducting tokamak (EAST) lower hybrid current drive (LHCD) systems. All klystron filaments are powered by AC power suppliers through isolated transformers. In order to achieve better klystron preheat, a klystron filament power supply control system is designed to obtain the automatic control of all filament power suppliers. Klystron filament current is measured by PLC and the interlock between filament current and klystron high voltage system is also implemented. This design has already been deployed in two LHCD systemsmore » and proves feasible completely.« less

Thermally Strained Band Gap Engineering of Transition-Metal Dichalcogenide Bilayers with Enhanced Light-Matter Interaction toward Excellent Photodetectors.

PubMed

Wang, Sheng-Wen; Medina, Henry; Hong, Kuo-Bin; Wu, Chun-Chia; Qu, Yindong; Manikandan, Arumugam; Su, Teng-Yu; Lee, Po-Tsung; Huang, Zhi-Quan; Wang, Zhiming; Chuang, Feng-Chuan; Kuo, Hao-Chung; Chueh, Yu-Lun

2017-09-26

Integration of strain engineering of two-dimensional (2D) materials in order to enhance device performance is still a challenge. Here, we successfully demonstrated the thermally strained band gap engineering of transition-metal dichalcogenide bilayers by different thermal expansion coefficients between 2D materials and patterned sapphire structures, where MoS 2 bilayers were chosen as the demonstrated materials. In particular, a blue shift in the band gap of the MoS 2 bilayers can be tunable, displaying an extraordinary capability to drive electrons toward the electrode under the smaller driven bias, and the results were confirmed by simulation. A model to explain the thermal strain in the MoS 2 bilayers during the synthesis was proposed, which enables us to precisely predict the band gap-shifted behaviors on patterned sapphire structures with different angles. Furthermore, photodetectors with enhancement of 286% and 897% based on the strained MoS 2 on cone- and pyramid-patterned sapphire substrates were demonstrated, respectively.

An X-band high-impedance relativistic klystron amplifier with an annular explosive cathode

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

Zhu, Danni; Zhang, Jun, E-mail: zhangjun@nudt.edu.cn; Zhong, Huihuang

2015-11-15

The feasibility of employing an annular beam instead of a solid one in the X-band high-impedance relativistic klystron amplifier (RKA) is investigated in theory and simulation. Small-signal theory analysis indicates that the optimum bunching distance, fundamental current modulation depth, beam-coupling coefficient, and beam-loaded quality factor of annular beams are all larger than the corresponding parameters of solid beams at the same beam voltage and current. An annular beam RKA and a solid beam RKA with almost the same geometric parameters are compared in particle-in-cell simulation. Output microwave power of 100 MW, gain of 50 dB, and power conversion efficiency of 42% aremore » obtained in an annular beam RKA. The annular beam needs a 15% lower uniform guiding magnetic field than the solid beam. Our investigations demonstrate that we are able to use a simple annular explosive cathode immersed in a lower uniform magnetic field instead of a solid thermionic cathode in a complicated partially shielding magnetic field for designing high-impedance RKA, which avoids high temperature requirement, complicated electron-optical system, large area convergence, high current density, and emission uniformity for the solid beam. An equivalent method for the annular beam and the solid beam on bunching features is proposed and agrees with the simulation. The annular beam has the primary advantages over the solid beam that it can employ the immersing uniform magnetic field avoiding the complicated shielding magnetic field system and needs a lower optimum guiding field due to the smaller space charge effect.« less

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

NASA Astrophysics Data System (ADS)

Qi, Jingshan; Li, Xiao; Qian, Xiaofeng

2016-06-01

Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z2 invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route to manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.

Effects of quantum confinement and shape on band gap of core/shell quantum dots and nanowires

NASA Astrophysics Data System (ADS)

Gao, Faming

2011-05-01

A quantum confinement model for nanocrystals developed is extended to study for the optical gap shifts in core/shell quantum dots and nanowires. The chemical bond properties and gap shifts in the InP/ZnS, CdSe/CdS, CdSe/ZnS, and CdTe/ZnS core/shell quantum dots are calculated in detail. The calculated band gaps are in excellent agreement with experimental values. The effects of structural taping and twinning on quantum confinement of InP and Si nanowires are elucidated. It is found theoretically that a competition between the positive Kubo energy-gap shift and the negative surface energy shift plays the crucial role in the optical gaps of these nanosystems.

Two-dimensional tricycle arsenene with a direct band gap.

PubMed

Ma, ShuangYing; Zhou, Pan; Sun, L Z; Zhang, K W

2016-03-28

Based on a comprehensive investigation including ab initio phonon and finite-temperature molecular dynamics calculations, we find that two-dimensional tricycle-shaped arsenene (T-As) is robust and even stable under high temperature. T-As is energetically comparable to previously reported chair-shaped arsenene (C-As) and more stable than stirrup-shaped arsenene (S-As). In contrast to C-As and S-As, the monolayer T-As is a direct band gap semiconductor with an energy gap of 1.377 eV. Our results indicate that the electronic structure of T-As can be effectively modulated by stacking, strain, and patterning, which shows great potential of T-As in future nano-electronics. Moreover, by absorbing H or F atoms on the surface of T-As along a specific direction, nanoribbons with desired edge type and even width can be obtained, which is suitable for the fabrication of nano-devices.

Band gap modulation of mono and bi-layer hexagonal ZnS under transverse electric field and bi-axial strain: A first principles study

NASA Astrophysics Data System (ADS)

Rai, D. P.; Kaur, Sumandeep; Srivastava, Sunita

2018-02-01

Density functional theory has been employed to study the electronic and mechanical properties of the monolayer and bilayer ZnS. AB stacked ZnS bilayer is found to be energetically more favorable over the AA stacked ZnS bilayer. The electronic bandgap decreases on moving from monolayer to bilayer. Application of positive transverse electric field in AA/AB stacked bilayers leads to a semiconductor to metal transition at 1.10 V/Å. Reversed polarity of electric field, on the other hand, leads to an asymmetric behavior of the bandgap for AB stacking while the behavior of the bandgap in AA stacking is polarity independent. The strong dependency of bandgap on polarity of electric field in AB stacked ZnS bilayer is due to the balancing of external field with the induced internal field which arises due the electronegativity and heterogeneity in the arrangements of atoms. The electronic structure varies with the variation of applied biaxial strain (compression/tensile). We report an increase in band gap in both single and double layers under compression up to -8.0%, which can be attributed to greater superposition of atomic orbitals (Zn-d and S-p hybridization). We expect that our results may stimulate more theoretical and experimental work on hexagonal multi-layers of ZnS employing external field (temperature, pressure, field etc.) for future applications of our present work.

Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.

PubMed

Monastyrskii, Liubomyr S; Sokolovskii, Bogdan S; Alekseichyk, Mariya P

2017-12-01

The paper theoretically investigates the peculiarities of energy diagram of asymmetric graded-band-gap superlattices with linear coordinate dependences of band gap and electron affinity. For calculating the energy diagram of asymmetric graded-band-gap superlattices, linearized Poisson's equation has been solved for the two layers forming a period of the superlattice. The obtained coordinate dependences of edges of the conduction and valence bands demonstrate substantial transformation of the shape of the energy diagram at changing the period of the lattice and the ratio of width of the adjacent layers. The most marked changes in the energy diagram take place when the period of lattice is comparable with the Debye screening length. In the case when the lattice period is much smaller that the Debye screening length, the energy diagram has the shape of a sawtooth-like pattern.

Optical study of the band structure of wurtzite GaP nanowires

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

Assali, S., E-mail: simone.assali@polymtl.ca; Greil, J.; Zardo, I.

2016-07-28

We investigated the optical properties of wurtzite (WZ) GaP nanowires by performing photoluminescence (PL) and time-resolved PL measurements in the temperature range from 4 K to 300 K, together with atom probe tomography to identify residual impurities in the nanowires. At low temperature, the WZ GaP luminescence shows donor-acceptor pair emission at 2.115 eV and 2.088 eV, and Burstein-Moss band-filling continuum between 2.180 and 2.253 eV, resulting in a direct band gap above 2.170 eV. Sharp exciton α-β-γ lines are observed at 2.140–2.164–2.252 eV, respectively, showing clear differences in lifetime, presence of phonon replicas, and temperature-dependence. The excitonic nature of those peaks is critically discussed, leading tomore » a direct band gap of ∼2.190 eV and to a resonant state associated with the γ-line ∼80 meV above the Γ{sub 8C} conduction band edge.« less

Phonon-induced ultrafast band gap control in LaTiO3

NASA Astrophysics Data System (ADS)

Gu, Mingqiang; Rondinelli, James M.

We propose a route for ultrafast band gap engineering in correlated transition metal oxides by using optically driven phonons. We show that the ∖Gamma-point electron band energies can be deterministically tuned in the nonequilibrium state. Taking the Mott insulator LaTiO3 as an example, we show that such phonon-assisted processes dynamically induce an indirect-to-direct band gap transition or even a metal-to-insulator transition, depending on the electron correlation strength. We explain the origin of the dynamical band structure control and also establish its generality by examining related oxides. Lastly, we describe experimental routes to realize the band structure control with impulsive stimulated Raman scattering.

Soft phononic crystals with deformation-independent band gaps

PubMed Central

2017-01-01

Soft phononic crystals have the advantages over their stiff counterparts of being flexible and reconfigurable. Normally, the band gaps of soft phononic crystals will be modified after deformation due to both geometric and constitutive nonlinearity. Indeed these are important properties that can be exploited to tune the dynamic properties of the material. However, in some instances, it may be that one wishes to deform the medium while retaining the band gap structure. A special class of soft phononic crystals is described here with band gaps that are independent or almost-independent of the imposed mechanical deformation, which enables the design of phononic crystals with robust performance. This remarkable behaviour originates from transformation elasticity theory, which leaves the wave equation and the eigenfrequencies invariant after deformation. The necessary condition to achieve such a property is that the Lagrangian elasticity tensor of the hyperelastic material should be constant, i.e. independent of deformation. It is demonstrated that incompressible neo-Hookean materials exhibit such a unique property. Semilinear materials also possess this property under special loading conditions. Phononic crystals composed of these two materials are studied theoretically and the predictions of invariance, or the manner in which the response deviates from invariance, are confirmed via numerical simulation. PMID:28484331

Stacking orders induced direct band gap in bilayer MoSe2-WSe2 lateral heterostructures.

PubMed

Hu, Xiaohui; Kou, Liangzhi; Sun, Litao

2016-08-16

The direct band gap of monolayer semiconducting transition-metal dichalcogenides (STMDs) enables a host of new optical and electrical properties. However, bilayer STMDs are indirect band gap semiconductors, which limits its applicability for high-efficiency optoelectronic devices. Here, we report that the direct band gap can be achieved in bilayer MoSe2-WSe2 lateral heterostructures by alternating stacking orders. Specifically, when Se atoms from opposite layers are stacked directly on top of each other, AA and A'B stacked heterostructures show weaker interlayer coupling, larger interlayer distance and direct band gap. Whereas, when Se atoms from opposite layers are staggered, AA', AB and AB' stacked heterostructures exhibit stronger interlayer coupling, shorter interlayer distance and indirect band gap. Thus, the direct/indirect band gap can be controllable in bilayer MoSe2-WSe2 lateral heterostructures. In addition, the calculated sliding barriers indicate that the stacking orders of bilayer MoSe2-WSe2 lateral heterostructures can be easily formed by sliding one layer with respect to the other. The novel direct band gap in bilayer MoSe2-WSe2 lateral heterostructures provides possible application for high-efficiency optoelectronic devices. The results also show that the stacking order is an effective strategy to induce and tune the band gap of layered STMDs.

Anomalous Temperature Dependence of the Band Gap in Black Phosphorus.

PubMed

Villegas, Cesar E P; Rocha, A R; Marini, Andrea

2016-08-10

Black phosphorus (BP) has gained renewed attention due to its singular anisotropic electronic and optical properties that might be exploited for a wide range of technological applications. In this respect, the thermal properties are particularly important both to predict its room temperature operation and to determine its thermoelectric potential. From this point of view, one of the most spectacular and poorly understood phenomena is indeed the BP temperature-induced band gap opening; when temperature is increased, the fundamental band gap increases instead of decreases. This anomalous thermal dependence has also been observed recently in its monolayer counterpart. In this work, based on ab initio calculations, we present an explanation for this long known and yet not fully explained effect. We show that it arises from a combination of harmonic and lattice thermal expansion contributions, which are in fact highly interwined. We clearly narrow down the mechanisms that cause this gap opening by identifying the peculiar atomic vibrations that drive the anomaly. The final picture we give explains both the BP anomalous band gap opening and the frequency increase with increasing volume (tension effect).

Effect of solvents on optical band gap of silicon-doped graphene oxide

NASA Astrophysics Data System (ADS)

Tul Ain, Qura; Al-Modlej, Abeer; Alshammari, Abeer; Naeem Anjum, Muhammad

2018-03-01

The objective of this study was to determine the influence on the optical band gap when the same amount of silicon-doped graphene oxide was dissolved in three different solvents namely, distilled water, benzene, and dichloroethane. Ultraviolet-visible spectroscopy was used to analyse the optical properties of the solutions. Among all these solutions distilled water containing silicon-doped graphene oxide has the smallest optical band gap of 2.9 eV and is considered a semiconductor. Other solutions are not considered as semiconductors as they have optical band gaps greater than 4 eV. It was observed that there is an increase in the value of optical band gap of distilled water, benzene, and dichloroethane solutions indicating a rise in the insulating behaviour. In this experiment, graphene oxide was synthesised from graphite powder by modified Hummer’s method and was then doped with silicon. Synthesis and doping of graphene oxide were confirmed by various characterization techniques. Fourier transmission infrared spectroscopy was used for identification of surface functional groups. X-ray diffraction was carried out to confirm the formation of crystalline graphene oxide and silicon doped graphene oxide. In x-ray diffraction pattern, shifting of intensity peak from a 2θ value of 26.5° to 10° confirmed the synthesis of graphene oxide and various intensity peaks at different values of 2θ confirmed doping of graphene oxide with silicon. Scanning electron microscopy images indicated that graphene oxide sheets were decorated with spherical silicon nanoparticles. Energy dispersive x-ray spectroscopy showed that silicon doped graphene oxide powder contained 63.36% carbon, 34.05% oxygen, and 2.6% silicon.

Band Gap Transition Studies of U:ThO2 Using Cathodoluminescence

DTIC Science & Technology

2014-03-27

BAND GAP TRANSITION STUDIES OF U:THO2 USING CATHODOLUMINESCENCE THESIS Joshua D. Reding , Second Lieutenant, USAF AFIT-ENP-14-M-31 DEPARTMENT OF THE...Education and Training Command in Partial Fulfillment of the Requirements for the Degree of Master of Science in Applied Physics Joshua D. Reding , B.S...STUDIES OF U:THO2 USING CATHODOLUMINESCENCE Joshua D. Reding , B.S. Second Lieutenant, USAF Approved: //signed// Robert L. Hengehold, PhD (Chair) //signed

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

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

Qi, Jingshan, E-mail: qijingshan@jsnu.edu.cn, E-mail: feng@tamu.edu; Li, Xiao; Qian, Xiaofeng, E-mail: qijingshan@jsnu.edu.cn, E-mail: feng@tamu.edu

2016-06-20

Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z{sub 2} invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route tomore » manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.« less

Gigawatt peak power generation in a relativistic klystron amplifier driven by 1 kW seed-power

NASA Astrophysics Data System (ADS)

Wu, Y.; Xie, H. Q.; Li, Z. H.; Zhang, Y. J.; Ma, Q. S.

2013-11-01

An S-band high gain relativistic klystron amplifier driven by kW-level RF power is proposed and studied experimentally. In the device, the RF lossy material is introduced to suppress higher mode excitation. An output power of 1.95 GW with a gain of 62.8 dB is obtained in the simulation. Under conditions of an input RF power of 1.38 kW, a microwave pulse with power of 1.9 GW, frequency of 2.86 GHz, and duration of 105 ns is generated in the experiment, and the corresponding gain is 61.4 dB.

Optical band gaps of organic semiconductor materials

NASA Astrophysics Data System (ADS)

Costa, José C. S.; Taveira, Ricardo J. S.; Lima, Carlos F. R. A. C.; Mendes, Adélio; Santos, Luís M. N. B. F.

2016-08-01

UV-Vis can be used as an easy and forthright technique to accurately estimate the band gap energy of organic π-conjugated materials, widely used as thin films/composites in organic and hybrid electronic devices such as OLEDs, OPVs and OFETs. The electronic and optical properties, including HOMO-LUMO energy gaps of π-conjugated systems were evaluated by UV-Vis spectroscopy in CHCl3 solution for a large number of relevant π-conjugated systems: tris-8-hydroxyquinolinatos (Alq3, Gaq3, Inq3, Al(qNO2)3, Al(qCl)3, Al(qBr)3, In(qNO2)3, In(qCl)3 and In(qBr)3); triphenylamine derivatives (DDP, p-TTP, TPB, TPD, TDAB, m-MTDAB, NPB, α-NPD); oligoacenes (naphthalene, anthracene, tetracene and rubrene); oligothiophenes (α-2T, β-2T, α-3T, β-3T, α-4T and α-5T). Additionally, some electronic properties were also explored by quantum chemical calculations. The experimental UV-Vis data are in accordance with the DFT predictions and indicate that the band gap energies of the OSCs dissolved in CHCl3 solution are consistent with the values presented for thin films.

Compositional dependence of the band gap in Ga(NAsP) quantum well heterostructures

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

Jandieri, K., E-mail: kakhaber.jandieri@physik.uni-marburg.de; Ludewig, P.; Wegele, T.

We present experimental and theoretical studies of the composition dependence of the direct band gap energy in Ga(NAsP)/GaP quantum well heterostructures grown on either (001) GaP- or Si-substrates. The theoretical description takes into account the band anti-crossing model for the conduction band as well as the modification of the valence subband structure due to the strain resulting from the pseudomorphic epitaxial growth on the respective substrate. The composition dependence of the direct band gap of Ga(NAsP) is obtained for a wide range of nitrogen and phosphorus contents relevant for laser applications on Si-substrate.

Double gaps along Shaker S4 demonstrate omega currents at three different closed states.

PubMed

Gamal El-Din, Tamer M; Heldstab, Hansjakob; Lehmann, Claudia; Greeff, Nikolaus G

2010-01-01

The aim of the present study was to investigate in detail how the voltage sensor in the Shaker potassium channel moves during the gating process. After the publication of the open channel structure from the crystallized K(V)AP channel in 2003, an alternative so-called "paddle" model was put forward in contrast to the existing helical screw model. The voltage sensor S4 contains 4 arginine residues relevant for gating, R1(362), R2(365), R3(368) and R4(371), each separated by 2 neutral residues. These charged residues coil as one of three threads on the S4-alpha-helix. Based on a previous finding that the mutation R1S leads to the so-called omega leak current through a "gating-pore" in the closed state, we introduced gaps systematically along the arginine thread substituting long arginines by short serines. Mutations R2S or R3S did neither create transient nor steady leaks. The fact that the native residue A359, which is located three amino acids in front of R1, is a short one, motivated us to check its role. Mutation of A359 to arginine blocked the omega current in the R1S mutant indicating that the omega pore is occupied by A359 and R1. Introducing further double gaps (RR to SS) at sequential positions (0 + 1, 1 + 2, 2 + 3), produced clear leak currents which were remarkably stable over a wide voltage range. These leaks contradict that S4 would swing together with S3 in lipid according to the paddle hypothesis. Rather, our results show that during gating the S4 segment moves in 3 helical steps through a fixed pore formed by the channel protein.

Design, construction and evaluation of a 12.2 GHz, 4.0 kW-CW high efficiency klystron amplifier. [for satellite-borne TV broadcast transmitters

NASA Technical Reports Server (NTRS)

Vishida, J. M.; Brodersen, L. K.

1974-01-01

An analytical and experimental program is described, for studying design techniques for optimizing the conversion efficiency of klystron amplifiers, and to utilize these techniques in the development and fabrication of an X-band 4 kW cw klystron, for use in satellite-borne television broadcast transmitters. The design is based on a technique for increasing the RF beam current by using the second harmonic space charge forces in the bunched beam. Experimental analysis was also made of a method to enhance circuit efficiency in the klystron cavities. The design incorporates a collector which is demountable from the tube to facilitate multistage depressed collector experiments employing an axisymmetric, electrostatic collector for linear beam microwave tubes.

Fabrication of 3-D Photonic Band Gap Crystals Via Colloidal Self-Assembly

NASA Technical Reports Server (NTRS)

Subramaniam, Girija; Blank, Shannon

2005-01-01

The behavior of photons in a Photonic Crystals, PCs, is like that of electrons in a semiconductor in that, it prohibits light propagation over a band of frequencies, called Photonic Band Gap, PBG. Photons cannot exist in these band gaps like the forbidden bands of electrons. Thus, PCs lend themselves as potential candidates for devices based on the gap phenomenon. The popular research on PCs stem from their ability to confine light with minimal losses. Large scale 3-D PCs with a PBG in the visible or near infra red region will make optical transistors and sharp bent optical fibers. Efforts are directed to use PCs for information processing and it is not long before we can have optical integrated circuits in the place of electronic ones.

Very low band gap thiadiazoloquinoxaline donor-acceptor polymers as multi-tool conjugated polymers.

PubMed

Steckler, Timothy T; Henriksson, Patrik; Mollinger, Sonya; Lundin, Angelica; Salleo, Alberto; Andersson, Mats R

2014-01-29

Here we report on the synthesis of two novel very low band gap (VLG) donor-acceptor polymers (Eg ≤ 1 eV) and an oligomer based on the thiadiazoloquinoxaline acceptor. Both polymers demonstrate decent ambipolar mobilities, with P1 showing the best performance of ∼10(-2) cm(2) V(-1) s(-1) for p- and n-type operation. These polymers are among the lowest band gap polymers (≲0.7 eV) reported, with a neutral λmax = 1476 nm (P2), which is the farthest red-shifted λmax reported to date for a soluble processable polymer. Very little has been done to characterize the electrochromic aspects of VLG polymers; interestingly, these polymers actually show a bleaching of their neutral absorptions in the near-infrared region and have an electrochromic contrast up to 30% at a switching speed of 3 s.

Steric engineering of metal-halide perovskites with tunable optical band gaps

NASA Astrophysics Data System (ADS)

Filip, Marina R.; Eperon, Giles E.; Snaith, Henry J.; Giustino, Feliciano

2014-12-01

Owing to their high energy-conversion efficiency and inexpensive fabrication routes, solar cells based on metal-organic halide perovskites have rapidly gained prominence as a disruptive technology. An attractive feature of perovskite absorbers is the possibility of tailoring their properties by changing the elemental composition through the chemical precursors. In this context, rational in silico design represents a powerful tool for mapping the vast materials landscape and accelerating discovery. Here we show that the optical band gap of metal-halide perovskites, a key design parameter for solar cells, strongly correlates with a simple structural feature, the largest metal-halide-metal bond angle. Using this descriptor we suggest continuous tunability of the optical gap from the mid-infrared to the visible. Precise band gap engineering is achieved by controlling the bond angles through the steric size of the molecular cation. On the basis of these design principles we predict novel low-gap perovskites for optimum photovoltaic efficiency, and we demonstrate the concept of band gap modulation by synthesising and characterising novel mixed-cation perovskites.

Hyperbolic chaos in the klystron-type microwave vacuum tube oscillator

NASA Astrophysics Data System (ADS)

Emel'yanov, V. V.; Kuznetsov, S. P.; Ryskin, N. M.

2010-12-01

The ring-loop oscillator consisting of two coupled klystrons which is capable of generating hyperbolic chaotic signal in the microwave band is considered. The system of delayed-differential equations describing the dynamics of the oscillator is derived. This system is further reduced to the two-dimensional return map under the assumption of the instantaneous build-up of oscillations in the cavities. The results of detailed numerical simulation for both models are presented showing that there exists large enough range of control parameters where the sustained regime corresponds to the structurally stable hyperbolic chaos.

Optical Band Gap Alteration of Graphene Oxide via Ozone Treatment.

PubMed

Hasan, Md Tanvir; Senger, Brian J; Ryan, Conor; Culp, Marais; Gonzalez-Rodriguez, Roberto; Coffer, Jeffery L; Naumov, Anton V

2017-07-25

Graphene oxide (GO) is a graphene derivative that emits fluorescence, which makes GO an attractive material for optoelectronics and biotechnology. In this work, we utilize ozone treatment to controllably tune the band gap of GO, which can significantly enhance its applications. Ozone treatment in aqueous GO suspensions yields the addition/rearrangement of oxygen-containing functional groups suggested by the increase in vibrational transitions of C-O and C=O moieties. Concomitantly it leads to an initial increase in GO fluorescence intensity and significant (100 nm) blue shifts in emission maxima. Based on the model of GO fluorescence originating from sp 2 graphitic islands confined by oxygenated addends, we propose that ozone-induced functionalization decreases the size of graphitic islands affecting the GO band gap and emission energies. TEM analyses of GO flakes confirm the size decrease of ordered sp 2 domains with ozone treatment, whereas semi-empirical PM3 calculations on model addend-confined graphitic clusters predict the inverse dependence of the band gap energies on sp 2 cluster size. This model explains ozone-induced increase in emission energies yielding fluorescence blue shifts and helps develop an understanding of the origins of GO fluorescence emission. Furthermore, ozone treatment provides a versatile approach to controllably alter GO band gap for optoelectronics and bio-sensing applications.

Quasiparticle band structures and interface physics of SnS and GeS

NASA Astrophysics Data System (ADS)

Malone, Brad; Kaxiras, Efthimios

2013-03-01

Orthorhombic SnS and GeS are layered materials made of earth-abundant elements which have the potential to play a useful role in the massive scale up of renewable power necessary by 2050 to avoid unmanageable levels of climate change. We report on first principles calculations of the quasiparticle spectra of these two materials, predicting the type and magnitude of the fundamental band gap, a quantity which shows a strong degree of scatter in the experimental literature. Additionally, in order to evaluate the possible role of GeS as an electron-blocking layer in a SnS-based photovoltaic device, we investigate the band offsets of the interfaces between these materials along the three principle crystallographic directions. We find that while the valence-band offsets are similar along the three principle directions, the conduction-band offsets display a substantial amount of anisotropy.

Effect of interfacial lattice mismatch on bulk carrier concentration and band gap of InN

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

Kuyyalil, Jithesh; Tangi, Malleswararao; Shivaprasad, S. M.

The issue of ambiguous values of the band gap (0.6 to 2 eV) of InN thin film in literature has been addressed by a careful experiment. We have grown wurtzite InN films by PA-MBE simultaneously on differently modified c-plane sapphire substrates and characterized by complementary structural and chemical probes. Our studies discount Mie resonances caused by metallic In segregation at grain boundaries as the reason for low band gap values ( Almost-Equal-To 0.6 eV) and also the formation of Indium oxides and oxynitrides as the cause for high band gap value ( Almost-Equal-To 2.0 eV). It is observed that polycrystallinitymore » arising from azimuthal miss-orientation of c-oriented wurtzite InN crystals increases the carrier concentration and the band gap values. We have reviewed the band gap, carrier concentration, and effective mass of InN in literature and our own measurements, which show that the Moss-Burstein relation with a non-parabolic conduction band accounts for the observed variation of band gap with carrier concentration.« less

Robust indirect band gap and anisotropy of optical absorption in B-doped phosphorene.

PubMed

Wu, Zhi-Feng; Gao, Peng-Fei; Guo, Lei; Kang, Jun; Fang, Dang-Qi; Zhang, Yang; Xia, Ming-Gang; Zhang, Sheng-Li; Wen, Yu-Hua

2017-12-06

A traditional doping technique plays an important role in the band structure engineering of two-dimensional nanostructures. Since electron interaction is changed by doping, the optical and electrochemical properties could also be significantly tuned. In this study, density functional theory calculations have been employed to explore the structural stability, and electronic and optical properties of B-doped phosphorene. The results show that all B-doped phosphorenes are stable with a relatively low binding energy. Of particular interest is that these B-doped systems exhibit an indirect band gap, which is distinct from the direct one of pure phosphorene. Despite the different concentrations and configurations of B dopants, such indirect band gaps are robust. The screened hybrid density functional HSE06 predicts that the band gap of B-doped phosphorene is slightly smaller than that of pure phosphorene. Spatial charge distributions at the valence band maximum (VBM) and the conduction band minimum (CBM) are analyzed to understand the features of an indirect band gap. By comparison with pure phosphorene, B-doped phosphorenes exhibit strong anisotropy and intensity of optical absorption. Moreover, B dopants could enhance the stability of Li adsorption on phosphorene with less sacrifice of the Li diffusion rate. Our results suggest that B-doping is an effective way of tuning the band gap, enhancing the intensity of optical absorption and improving the performances of Li adsorption, which could promote potential applications in novel optical devices and lithium-ion batteries.

Sulfur-doped Graphene Nanoribbons with a Sequence of Distinct Band Gaps

NASA Astrophysics Data System (ADS)

Du, Shi-Xuan; Zhang, Yan-Fang; Zhang, Yi; Berger, Reinhard; Feng, Xinliang; Mullen, Klaus; Lin, Xiao; Zhang, Yu-Yang; Pantelides, Sokrates T.; Gao, Hong-Jun

Unlike free-standing graphene, graphene nanoribbons (GNRs) can possess semiconducting band gap. However, achieving such control has been a major challenge in the fabrication of GNRs. Chevron-type GNRs were recently achieved by surface-assisted polymerization of pristine or N-substituted oligophenylene monomers. By mixing two different monomers, GNR heterojunctions can in principle be fabricated. Here we report fabrication and characterization of chevron-type GNRs by using sulfur-substituted oligophenylene monomers to achieve GNRs and related heterostructures for the first time. Importantly, our first-principles calculations show that the band gaps of GNRs can be tailored by different S configurations in cyclodehydrogenated isomers through debromination and intramolecular cyclodehydrogenation. This feature should open up new avenues to create multiple GNR heterojunctions by engineering the sulfur configurations. These predictions have been confirmed by Scanning Tunneling Microscopy (STM) and Scanning Tunneling Spectroscopy (STS). The unusual sequence of intraribbon heterojunctions may be useful for nanoscale optoelectronic applications based on quantum dots

Origin of multiple band gap values in single width nanoribbons

PubMed Central

Goyal, Deepika; Kumar, Shailesh; Shukla, Alok; Kumar, Rakesh

2016-01-01

Deterministic band gap in quasi-one-dimensional nanoribbons is prerequisite for their integrated functionalities in high performance molecular-electronics based devices. However, multiple band gaps commonly observed in graphene nanoribbons of the same width, fabricated in same slot of experiments, remain unresolved, and raise a critical concern over scalable production of pristine and/or hetero-structure nanoribbons with deterministic properties and functionalities for plethora of applications. Here, we show that a modification in the depth of potential wells in the periodic direction of a supercell on relative shifting of passivating atoms at the edges is the origin of multiple band gap values in nanoribbons of the same width in a crystallographic orientation, although they carry practically the same ground state energy. The results are similar when calculations are extended from planar graphene to buckled silicene nanoribbons. Thus, the findings facilitate tuning of the electronic properties of quasi-one-dimensional materials such as bio-molecular chains, organic and inorganic nanoribbons by performing edge engineering. PMID:27808172

Strain-induced band-gap engineering of graphene monoxide and its effect on graphene

NASA Astrophysics Data System (ADS)

Pu, H. H.; Rhim, S. H.; Hirschmugl, C. J.; Gajdardziska-Josifovska, M.; Weinert, M.; Chen, J. H.

2013-02-01

Using first-principles calculations we demonstrate the feasibility of band-gap engineering in two-dimensional crystalline graphene monoxide (GMO), a recently reported graphene-based material with a 1:1 carbon/oxygen ratio. The band gap of GMO, which can be switched between direct and indirect, is tunable over a large range (0-1.35 eV) for accessible strains. Electron and hole transport occurs predominantly along the zigzag and armchair directions (armchair for both) when GMO is a direct- (indirect-) gap semiconductor. A band gap of ˜0.5 eV is also induced in graphene at the K' points for GMO/graphene hybrid systems.

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.

New insights into the opening band gap of graphene oxides

NASA Astrophysics Data System (ADS)

Tran, Ngoc Thanh Thuy; Lin, Shih-Yang; Lin, Ming-Fa

Electronic properties of oxygen absorbed few-layer graphenes are investigated using first-principle calculations. They are very sensitive to the changes in the oxygen concentration, number of graphene layer, and stacking configuration. The feature-rich band structures exhibit the destruction or distortion of the Dirac cone, opening of band gap, anisotropic energy dispersions, O- and (C,O)-dominated energy dispersions, and extra critical points. The band decomposed charge distributions reveal the π-bonding dominated energy gap. The orbital-projected density of states (DOS) have many special structures mainly coming from a composite energy band, the parabolic and partially flat ones. The DOS and spatial charge distributions clearly indicate the critical orbital hybridizations in O-O, C-O and C-C bonds, being responsible for the diversified properties. All of the few-layer graphene oxides are semi-metals except for the semiconducting monolayer ones.

Optical band gap in a cholesteric elastomer doped by metallic nanospheres

NASA Astrophysics Data System (ADS)

Hernández, Julio C.; Reyes, J. Adrián

2017-12-01

We analyzed the optical band gaps for axially propagating electromagnetic waves throughout a metallic doped cholesteric elastomer. The composed medium is made of metallic nanospheres (silver) randomly dispersed in a cholesteric elastomer liquid crystal whose dielectric properties can be represented by a resonant effective uniaxial tensor. We found that the band gap properties of the periodic system greatly depend on the volume fraction of nanoparticles in the cholesteric elastomer. In particular, we observed a displacement of the reflection band for quite small fraction volumes whereas for larger values of this fraction there appears a secondary band in the higher frequency region. We also have calculated the transmittance and reflectance spectra for our system. These calculations verify the mentioned band structure and provide additional information about the polarization features of the radiation.

Reducing support loss in micromechanical ring resonators using phononic band-gap structures

NASA Astrophysics Data System (ADS)

Hsu, Feng-Chia; Hsu, Jin-Chen; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin

2011-09-01

In micromechanical resonators, energy loss via supports into the substrates may lead to a low quality factor. To eliminate the support loss, in this paper a phononic band-gap structure is employed. We demonstrate a design of phononic-crystal (PC) strips used to support extensional wine-glass mode ring resonators to increase the quality factor. The PC strips are introduced to stop elastic-wave propagation by the band-gap and deaf-band effects. Analyses of resonant characteristics of the ring resonators and the dispersion relations, eigenmodes, and transmission properties of the PC strips are presented. With the proposed resonator architecture, the finite-element simulations show that the leaky power is effectively reduced and the stored energy inside the resonators is enhanced simultaneously as the operating frequencies of the resonators are within the band gap or deaf bands. Realization of a high quality factor micromechanical ring resonator with minimized support loss is expected.

Passive band-gap reconfiguration born from bifurcation asymmetry.

PubMed

Bernard, Brian P; Mann, Brian P

2013-11-01

Current periodic structures are constrained to have fixed energy transmission behavior unless active control or component replacement is used to alter their wave propagation characteristics. The introduction of nonlinearity to generate multiple stable equilibria is an alternative strategy for realizing distinct energy propagation behaviors. We investigate the creation of a reconfigurable band-gap system by implementing passive switching between multiple stable states of equilibrium, to alter the level of energy attenuation in response to environmental stimuli. The ability to avoid potentially catastrophic loads is demonstrated by tailoring the bandpass and band-gap regions to coalesce for two stable equilibria and varying an external load parameter to trigger a bifurcation. The proposed phenomenon could be utilized in remote or autonomous applications where component modifications and active control are impractical.

Band Gap Tuning via Lattice Contraction and Octahedral Tilting in Perovskite Materials for Photovoltaics.

PubMed

Prasanna, Rohit; Gold-Parker, Aryeh; Leijtens, Tomas; Conings, Bert; Babayigit, Aslihan; Boyen, Hans-Gerd; Toney, Michael F; McGehee, Michael D

2017-08-16

Tin and lead iodide perovskite semiconductors of the composition AMX 3 , where M is a metal and X is a halide, are leading candidates for high efficiency low cost tandem photovoltaics, in part because they have band gaps that can be tuned over a wide range by compositional substitution. We experimentally identify two competing mechanisms through which the A-site cation influences the band gap of 3D metal halide perovskites. Using a smaller A-site cation can distort the perovskite lattice in two distinct ways: by tilting the MX 6 octahedra or by simply contracting the lattice isotropically. The former effect tends to raise the band gap, while the latter tends to decrease it. Lead iodide perovskites show an increase in band gap upon partial substitution of the larger formamidinium with the smaller cesium, due to octahedral tilting. Perovskites based on tin, which is slightly smaller than lead, show the opposite trend: they show no octahedral tilting upon Cs-substitution but only a contraction of the lattice, leading to progressive reduction of the band gap. We outline a strategy to systematically tune the band gap and valence and conduction band positions of metal halide perovskites through control of the cation composition. Using this strategy, we demonstrate solar cells that harvest light in the infrared up to 1040 nm, reaching a stabilized power conversion efficiency of 17.8%, showing promise for improvements of the bottom cell of all-perovskite tandem solar cells. The mechanisms of cation-based band gap tuning we describe are broadly applicable to 3D metal halide perovskites and will be useful in further development of perovskite semiconductors for optoelectronic applications.

Testing Omega P’s 650 KW, 1.3 GHZ Low-Voltage Multi-Beam Klystron for the Project X Pulsed LINAC

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

Fermi Research Alliance; Omega-P Inc.

Omega-P Inc. had developed a multi beam 1.3 GHz klystron (MBK) for the Project X pulsed linac application. Testing of the klystron require a special hardware such as a modulator, RF components, control system, power supplies, etc, as well as associated infrastructure( electricity, water, safety). This is an expensive part of klystron development for which Omega-P does not have the required equipment. Fermilab will test the MBK at Fermilab site providing contribution to the project all the necessary facilities, infrastructure and manpower for MBK test performance and analysis.

Zinc oxide wide band gap semiconductor for optoelectronic devices

NASA Astrophysics Data System (ADS)

Choopun, Supab

The main objective of this dissertation is to study the key aspects of ZnO-based materials for fabrication of wide band gap optoelectronic devices. ZnO has received attention due to its direct band gap, alloying and doping capabilities. It has similar properties to that of GaN, a material system that has become very important for the fabrication of blue light emitting diodes, laser diodes, detectors, etc. In this study, ZnO and related materials were grown in thin film form on c-plane sapphire substrates by pulsed laser deposition and then, these films were mainly studied in terms of their structural, optical and electrical properties. The studied key aspects include growth and optimization of device quality ZnO films, band gap tailoring of ZnO films by alloying, fabrication of quantum well structures, and impurity doping for n-type and p-type ZnO films. The growth and optimization of ZnO films have been studied as a function of substrate temperature and oxygen background pressure. By tuning the growth temperature and oxygen pressure during the initial and final stages of growth, it was possible to control desirable surface, interface chemistry structure, crystalline quality, and optoelectronic properties of the films while maintaining high quality epitaxy. Band gap tailoring has been studied by alloying of ZnO with MgO. MgZnO alloy films exhibit two phases, hexagonal and cubic, depending on the Mg concentration in the MgZnO lattice. The band gap energy of MgZnO alloys can be varied in a wide range from 3.3 eV to 4.0 eV for hexagonal structured films and 4.0 to 7.6 eV for cubic structured films. Studies both n-type as well as p-type doping and activation in ZnO films are reported. It was found that In-doped ZnO films with high optical transparency and high electrical conductivity can be grown at temperature below 300°C. P-type ZnO films have been studied by using a cationic-codoping method. Weak p-type conductivity in ZnO films was obtained from Cu and Al codoping

Design of phononic band gaps in functionally graded piezocomposite materials by using topology optimization

NASA Astrophysics Data System (ADS)

Vatanabe, Sandro L.; Silva, Emílio C. N.

2011-04-01

One of the properties of composite materials is the possibility of having phononic band gaps, within which sound and vibrations at certain frequencies do not propagate. These materials are called Phononic Crystals (PCs). PCs with large band gaps are of great interest for many applications, such as transducers, elastic/ acoustic filters, noise control, and vibration shields. Most of previous works concentrates on PCs made of elastic isotropic materials; however, band gaps can be enlarged by using non-isotropic materials, such as piezoelectric materials. Since the main property of PCs is the presence of band gaps, one possible way to design structures which have a desired band gap is through Topology Optimization Method (TOM). TOM is a computational technique that determines the layout of a material such that a prescribed objective is maximized. Functionally Graded Materials (FGM) are composite materials whose properties vary gradually and continuously along a specific direction within the domain of the material. One of the advantages of applying the FGM concept to TOM is that it is not necessary a discrete 0-1 result, once the material gradation is part of the solution. Therefore, the interpretation step becomes easier and the dispersion diagram obtained from the optimization is not significantly modified. In this work, the main objective is to optimize the position and width of piezocomposite materials band gaps. Finite element analysis is implemented with Bloch-Floquet theory to solve the dynamic behavior of two-dimensional functionally graded unit cells. The results demonstrate that phononic band gaps can be designed by using this methodology.

Determination of optical band gap of powder-form nanomaterials with improved accuracy

NASA Astrophysics Data System (ADS)

Ahsan, Ragib; Khan, Md. Ziaur Rahman; Basith, Mohammed Abdul

2017-10-01

Accurate determination of a material's optical band gap lies in the precise measurement of its absorption coefficients, either from its absorbance via the Beer-Lambert law or diffuse reflectance spectrum via the Kubelka-Munk function. Absorption coefficients of powder-form nanomaterials calculated from absorbance spectrum do not match those calculated from diffuse reflectance spectrum, implying the inaccuracy of the traditional optical band gap measurement method for such samples. We have modified the Beer-Lambert law and the Kubelka-Munk function with proper approximations for powder-form nanomaterials. Applying the modified method for powder-form nanomaterial samples, both absorbance and diffuse reflectance spectra yield exactly the same absorption coefficients and therefore accurately determine the optical band gap.

Direct observation of mode-specific phonon-band gap coupling in methylammonium lead halide perovskites.

PubMed

Kim, Heejae; Hunger, Johannes; Cánovas, Enrique; Karakus, Melike; Mics, Zoltán; Grechko, Maksim; Turchinovich, Dmitry; Parekh, Sapun H; Bonn, Mischa

2017-09-25

Methylammonium lead iodide perovskite is an outstanding semiconductor for photovoltaics. One of its intriguing peculiarities is that the band gap of this perovskite increases with increasing lattice temperature. Despite the presence of various thermally accessible phonon modes in this soft material, the understanding of how precisely these phonons affect macroscopic material properties and lead to the peculiar temperature dependence of the band gap has remained elusive. Here, we report a strong coupling of a single phonon mode at the frequency of ~ 1 THz to the optical band gap by monitoring the transient band edge absorption after ultrafast resonant THz phonon excitation. Excitation of the 1 THz phonon causes a blue shift of the band gap over the temperature range of 185 ~ 300 K. Our results uncover the mode-specific coupling between one phonon and the optical properties, which contributes to the temperature dependence of the gap in the tetragonal phase.Methylammonium lead iodide perovskite, a promising material for efficient photovoltaics, shows a unique temperature dependence of its optical properties. Kim et al. quantify the coupling between the optical gap and a lattice phonon at 1 THz, which favorably contributes to the thermal variation of the gap.

Esaki Diodes in van der Waals Heterojunctions with Broken-Gap Energy Band Alignment.

PubMed

Yan, Rusen; Fathipour, Sara; Han, Yimo; Song, Bo; Xiao, Shudong; Li, Mingda; Ma, Nan; Protasenko, Vladimir; Muller, David A; Jena, Debdeep; Xing, Huili Grace

2015-09-09

van der Waals (vdW) heterojunctions composed of two-dimensional (2D) layered materials are emerging as a solid-state materials family that exhibits novel physics phenomena that can power a range of electronic and photonic applications. Here, we present the first demonstration of an important building block in vdW solids: room temperature Esaki tunnel diodes. The Esaki diodes were realized in vdW heterostructures made of black phosphorus (BP) and tin diselenide (SnSe2), two layered semiconductors that possess a broken-gap energy band offset. The presence of a thin insulating barrier between BP and SnSe2 enabled the observation of a prominent negative differential resistance (NDR) region in the forward-bias current-voltage characteristics, with a peak to valley ratio of 1.8 at 300 K and 2.8 at 80 K. A weak temperature dependence of the NDR indicates electron tunneling being the dominant transport mechanism, and a theoretical model shows excellent agreement with the experimental results. Furthermore, the broken-gap band alignment is confirmed by the junction photoresponse, and the phosphorus double planes in a single layer of BP are resolved in transmission electron microscopy (TEM) for the first time. Our results represent a significant advance in the fundamental understanding of vdW heterojunctions and broaden the potential applications of 2D layered materials.

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.

Methodology for Wide Band-Gap Device Dynamic Characterization

DOE PAGES

Zhang, Zheyu; Guo, Ben; Wang, Fei Fred; ...

2017-01-19

Here, the double pulse test (DPT) is a widely accepted method to evaluate the dynamic behavior of power devices. Considering the high switching-speed capability of wide band-gap devices, the test results are very sensitive to the alignment of voltage and current (V-I) measurements. Also, because of the shoot-through current induced by Cdv/dt (i.e., cross-talk), the switching losses of the nonoperating switch device in a phase-leg must be considered in addition to the operating device. This paper summarizes the key issues of the DPT, including components and layout design, measurement considerations, grounding effects, and data processing. Additionally, a practical method ismore » proposed for phase-leg switching loss evaluation by calculating the difference between the input energy supplied by a dc capacitor and the output energy stored in a load inductor. Based on a phase-leg power module built with 1200-V/50-A SiC MOSFETs, the test results show that this method can accurately evaluate the switching loss of both the upper and lower switches by detecting only one switching current and voltage, and it is immune to V-I timing misalignment errors.« less

Zero-n gap in one dimensional photonic crystal

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

Chobey, Mahesh K., E-mail: mahesh01chobey@gmail.com; Suthar, B.

2016-05-06

We study a one-dimensional (1-D) photonic crystal composed of Double Positive (DPS) and Double Negative (DNG) material. This structure shows omnidirectional photonic bandgap, which is insensitive with angle of incidence and polarization. To study the effect of structural parameters on the photonic band structure, we have calculated photonic band gap at various thicknesses of DPS and DNG.

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.

Enhanced Ultra-Wideband (UWB) Circular Monopole Antenna with Electromagnetic Band Gap (EBG) Surface and Director

DTIC Science & Technology

2014-08-01

Enhanced Ultra-Wideband (UWB) Circular Monopole Antenna with Electromagnetic Band Gap (EBG) Surface and Director by Amir I Zaghloul, Youn M... Antenna with Electromagnetic Band Gap (EBG) Surface and Director Amir I Zaghloul, Youn M Lee, Gregory A Mitchell, and Theodore K Anthony...DATES COVERED (From - To) 4. TITLE AND SUBTITLE Enhanced Ultra-Wideband (UWB) Circular Monopole Antenna with Electromagnetic Band Gap (EBG

Band Gap Tuning via Lattice Contraction and Octahedral Tilting in Perovskite Materials for Photovoltaics

DOE PAGES

Prasanna, Rohit; Gold-Parker, Aryeh; Leijtens, Tomas; ...

2017-07-13

Tin and lead iodide perovskite semiconductors of the composition AMX 3, where M is a metal and X is a halide, are leading candidates for high efficiency low cost tandem photovoltaics, in part because they have band gaps that can be tuned over a wide range by compositional substitution. We experimentally identify two competing mechanisms through which the A-site cation influences the band gap of 3D metal halide perovskites. Using a smaller A-site cation can distort the perovskite lattice in two distinct ways: by tilting the MX 6 octahedra or by simply contracting the lattice isotropically. The former effect tendsmore » to raise the band gap, while the latter tends to decrease it. Lead iodide perovskites show an increase in band gap upon partial substitution of the larger formamidinium with the smaller cesium, due to octahedral tilting. Perovskites based on tin, which is slightly smaller than lead, show the opposite trend: they show no octahedral tilting upon Cs-substitution but only a contraction of the lattice, leading to progressive reduction of the band gap. We outline a strategy to systematically tune the band gap and valence and conduction band positions of metal halide perovskites through control of the cation composition. Using this strategy, we demonstrate solar cells that harvest light in the infrared up to 1040 nm, reaching a stabilized power conversion efficiency of 17.8%, showing promise for improvements of the bottom cell of all-perovskite tandem solar cells. In conclusion, the mechanisms of cation-based band gap tuning we describe are broadly applicable to 3D metal halide perovskites and will be useful in further development of perovskite semiconductors for optoelectronic applications.« less

Band Gap Tuning via Lattice Contraction and Octahedral Tilting in Perovskite Materials for Photovoltaics

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

Prasanna, Rohit; Gold-Parker, Aryeh; Leijtens, Tomas

Tin and lead iodide perovskite semiconductors of the composition AMX 3, where M is a metal and X is a halide, are leading candidates for high efficiency low cost tandem photovoltaics, in part because they have band gaps that can be tuned over a wide range by compositional substitution. We experimentally identify two competing mechanisms through which the A-site cation influences the band gap of 3D metal halide perovskites. Using a smaller A-site cation can distort the perovskite lattice in two distinct ways: by tilting the MX 6 octahedra or by simply contracting the lattice isotropically. The former effect tendsmore » to raise the band gap, while the latter tends to decrease it. Lead iodide perovskites show an increase in band gap upon partial substitution of the larger formamidinium with the smaller cesium, due to octahedral tilting. Perovskites based on tin, which is slightly smaller than lead, show the opposite trend: they show no octahedral tilting upon Cs-substitution but only a contraction of the lattice, leading to progressive reduction of the band gap. We outline a strategy to systematically tune the band gap and valence and conduction band positions of metal halide perovskites through control of the cation composition. Using this strategy, we demonstrate solar cells that harvest light in the infrared up to 1040 nm, reaching a stabilized power conversion efficiency of 17.8%, showing promise for improvements of the bottom cell of all-perovskite tandem solar cells. In conclusion, the mechanisms of cation-based band gap tuning we describe are broadly applicable to 3D metal halide perovskites and will be useful in further development of perovskite semiconductors for optoelectronic applications.« less

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

Design and optimization of G-band extended interaction klystron with high output power

NASA Astrophysics Data System (ADS)

Li, Renjie; Ruan, Cunjun; Zhang, Huafeng

2018-03-01

A ladder-type Extended Interaction Klystron (EIK) with unequal-length slots in the G-band is proposed and designed. The key parameters of resonance cavities working in the π mode are obtained based on the theoretical analysis and 3D simulation. The influence of the device fabrication tolerance on the high-frequency performance is analyzed in detail, and it is found that at least 5 μm of machining precision is required. Thus, the dynamic tuning is required to compensate for the frequency shift and increase the bandwidth. The input and output coupling hole dimensions are carefully designed to achieve high output power along with a broad bandwidth. The effect of surface roughness of the metallic material on the output power has been investigated, and it is proposed that lower surface roughness leads to higher output power. The focusing magnetic field is also optimized to 0.75 T in order to maintain the beam transportation and achieve high output power. With 16.5 kV operating voltage and 0.30 A beam current, the output power of 360 W, the efficiency of 7.27%, the gain of 38.6 dB, and the 3 dB bandwidth of 500 MHz are predicted. The output properties of the EIK show great stability with the effective suppression of oscillation and mode competition. Moreover, small-signal theory analysis and 1D code AJDISK calculations are carried out to verify the results of 3D PIC simulations. A close agreement among the three methods proves the relative validity and the reliability of the designed EIK. Thus, it is indicated that the EIK with unequal-length slots has potential for power improvement and bandwidth extension.

A unique power supply for the PEP II klystron at SLAC

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

Cassel, R.; Nguyen, M.N.

1997-07-01

Each of the eight 1.2 MW RF klystrons for the PEP-II storage rings require a 2.5 MVA DC power supply of 83 Kv at 23 amps. The design for the supply was base on three factors, low cost, small size to fit existing substation pads, and good protection against damage to the klystron including klystron gun arcs. The supply uses a 12 pulse 12.5 KV primary thyristor star point controller with primary filter inductor to provide rapid voltage control, good voltage regulation, and fast turn off during klystron tube faults. The supply also uses a unique secondary rectifier, filter capacitormore » configuration to minimize the energy available under a klystron fault. The voltage control is from 0--90 KV with a regulation of < 0.1% and voltage ripple of < 1% P-P, (< 0.2% RMS) above 60 KV. The supply utilizes a thyristor crowbar, which under a klystron tube arc limits the energy in the klystron arc to < 5 joules. If the thyristor crowbar is disabled the energy supplied is < 40 joules into the arc. The size of the supply was reduced small enough to fit the existing PEP transformer yard pads. The cost of the power supply was < $140 per KVA.« less

Enhanced Photoelectrochemical Water Splitting Behaviour of Tuned Band Gap CdSe QDs Sensitized LaB₆.

PubMed

Babu, M Soban; Sivanantham, A; Chakravarthi, B Barath; Kannan, R Sujith; Panda, Subhendu K; Berchmans, L John; Arya, S B; Sreedhar, Gosipathala

2017-01-01

We report the fabrication of tuned band gap quantum dots sensitized LaB₆ hybrid nanostructures and their application as a photoanode for photoelectrochemical water splitting. The lanthanum hexaboride (LaB₆) obtained by molten salt electrolysis method is sensitized with different sized CdSe quantum dots, which form a multiple-level hierarchical heterostructure and such design enhance the light absorption and charge carrier separation, which in turn showed higher photocurrent density compared to that of pristine LaB₆. When LaB₆ is sensitized with CdSe quantum dots of different band gaps, which have the absorption in the green and red (530 and 605 nm) regions in visible light, developed a ten times higher photocurrent density (11.0 mA cm(−2)) compared to that of pristine LaB6 (0.5 mA cm(−2) at 0.75 V vs. Ag/AgCl) in 1 M Na₂S electrolyte under illumination. These results prove that the tuned band gap quantum dots sensitized LaB₆ heterostructures are an ideal candidate for a photoanode in solar water splitting applications.

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.

Designer Disordered Complex Media: Hyperuniform Photonic and Phononic Band Gap Materials

NASA Astrophysics Data System (ADS)

Amoah, Timothy

In this thesis we investigate designer disordered complex media for photonics and phononics applications. Initially we focus on the photonic properties and we analyse hyperuniform disordered structures (HUDS) using numerical simulations. Photonic HUDS are a new class of photonic solids, which display large, isotropic photonic band gaps (PBG) comparable in size to the ones found in photonic crystals (PC). We review their complex interference properties, including the origin of PBGs and potential applications. HUDS combine advantages of both isotropy due to disorder (absence of long-range order) and controlled scattering properties from uniform local topology due to hyperuniformity (constrained disorder). The existence of large band gaps in HUDS contradicts the longstanding intuition that Bragg scattering and long-range translational order is required in PBG formation, and demonstrates that interactions between Mie-like local resonances and multiple scattering can induce on their own PBGs. The discussion is extended to finite height effects of planar architectures such as pseudo-band-gaps in photonic slabs as well as the vertical confinement in the presence of disorder. The particular case of a silicon-on-insulator compatible hyperuniform disordered network structure is considered for TE polarised light. We address technologically realisable designs of HUDS including localisation of light in point-defect-like optical cavities and the guiding of light in freeform PC waveguide analogues. Using finite-difference time domain and band structure computer simulations, we show that it is possible to construct optical cavities in planar hyperuniform disordered solids with isotropic band gaps that effciently confine TE polarised radiation. We thus demonstrate that HUDS are a promising general-purpose design platform for integrated optical micro-circuitry. After analysing HUDS for photonic applications we investigate them in the context of elastic waves towards phononics

Yb5Ga2Sb6: a mixed valent and narrow-band gap material in the RE5M2X6 family.

PubMed

Subbarao, Udumula; Sarkar, Sumanta; Gudelli, Vijay Kumar; Kanchana, V; Vaitheeswaran, G; Peter, Sebastian C

2013-12-02

A new compound Yb5Ga2Sb6 was synthesized by the metal flux technique as well as high frequency induction heating. Yb5Ga2Sb6 crystallizes in the orthorhombic space group Pbam (no. 55), in the Ba5Al2Bi6 structure type, with a unit cell of a = 7.2769(2) Å, b = 22.9102(5) Å, c = 4.3984(14) Å, and Z = 2. Yb5Ga2Sb6 has an anisotropic structure with infinite anionic double chains (Ga2Sb6)(10-) cross-linked by Yb(2+) and Yb(3+) ions. Each single chain is made of corner-sharing GaSb4 tetrahedra. Two such chains are bridged by Sb2 groups to form double chains of 1/∞ [Ga2Sb6(10-)]. The compound satisfies the classical Zintl-Klemm concept and is a narrow band gap semiconductor with an energy gap of around 0.36 eV calculated from the electrical resistivity data corroborating with the experimental absorption studies in the IR region (0.3 eV). Magnetic measurements suggest Yb atoms in Yb5Ga2Sb6 exist in the mixed valent state. Temperature dependent magnetic susceptibility data follows the Curie-Weiss behavior above 100 K and no magnetic ordering was observed down to 2 K. Experiments are accompanied by all electron full-potential linear augmented plane wave (FP-LAPW) calculations based on density functional theory to calculate the electronic structure and density of states. The calculated band structure shows a weak overlap of valence band and conduction band resulting in a pseudo gap in the density of states revealing semimetallic character.

From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach.

PubMed

Baerends, E J

2017-06-21

It is often stated that the Kohn-Sham occupied-unoccupied gap in both molecules and solids is "wrong". We argue that this is not a correct statement. The KS theory does not allow to interpret the exact KS HOMO-LUMO gap as the fundamental gap (difference (I - A) of electron affinity (A) and ionization energy (I), twice the chemical hardness), from which it indeed differs, strongly in molecules and moderately in solids. The exact Kohn-Sham HOMO-LUMO gap in molecules is much below the fundamental gap and very close to the much smaller optical gap (first excitation energy), and LDA/GGA yield very similar gaps. In solids the situation is different: the excitation energy to delocalized excited states and the fundamental gap (I - A) are very similar, not so disparate as in molecules. Again the Kohn-Sham and LDA/GGA band gaps do not represent (I - A) but are significantly smaller. However, the special properties of an extended system like a solid make it very easy to calculate the fundamental gap from the ground state (neutral system) band structure calculations entirely within a density functional framework. The correction Δ from the KS gap to the fundamental gap originates from the response part v resp of the exchange-correlation potential and can be calculated very simply using an approximation to v resp . This affords a calculation of the fundamental gap at the same level of accuracy as other properties of crystals at little extra cost beyond the ground state bandstructure calculation. The method is based on integer electron systems, fractional electron systems (an ensemble of N- and (N + 1)-electron systems) and the derivative discontinuity are not invoked.

Polarization-induced Zener tunnel junctions in wide-band-gap heterostructures.

PubMed

Simon, John; Zhang, Ze; Goodman, Kevin; Xing, Huili; Kosel, Thomas; Fay, Patrick; Jena, Debdeep

2009-07-10

The large electronic polarization in III-V nitrides allows for novel physics not possible in other semiconductor families. In this work, interband Zener tunneling in wide-band-gap GaN heterojunctions is demonstrated by using polarization-induced electric fields. The resulting tunnel diodes are more conductive under reverse bias, which has applications for zero-bias rectification and mm-wave imaging. Since interband tunneling is traditionally prohibitive in wide-band-gap semiconductors, these polarization-induced structures and their variants can enable a number of devices such as multijunction solar cells that can operate under elevated temperatures and high fields.

Analysis of photonic band gap in novel piezoelectric photonic crystal

NASA Astrophysics Data System (ADS)

Malar Kodi, A.; Doni Pon, V.; Joseph Wilson, K. S.

2018-03-01

The transmission properties of one-dimensional novel photonic crystal having silver-doped novel piezoelectric superlattice and air as the two constituent layers have been investigated by means of transfer matrix method. By changing the appropriate thickness of the layers and filling factor of nanocomposite system, the variation in the photonic band gap can be studied. It is found that the photonic band gap increases with the filling factor of the metal nanocomposite and with the thickness of the layer. These structures possess unique characteristics enabling one to operate as optical waveguides, selective filters, optical switches, integrated piezoelectric microactuators, etc.

Tuning the band gap in hybrid tin iodide perovskite semiconductors using structural templating.

PubMed

Knutson, Jeremy L; Martin, James D; Mitzi, David B

2005-06-27

Structural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence. Extended Hückel tight-binding band calculations are employed to decipher the crystal orbital origins of the structural effects that fine-tune the band structure. The calculations suggest that it may be possible to tune the band gap by as much as 1 eV using the templating influence of the organic cation.

Experimental evidence of locally resonant sonic band gap in two-dimensional phononic stubbed plates

NASA Astrophysics Data System (ADS)

Oudich, Mourad; Senesi, Matteo; Assouar, M. Badreddine; Ruzenne, Massimo; Sun, Jia-Hong; Vincent, Brice; Hou, Zhilin; Wu, Tsung-Tsong

2011-10-01

We provide experimental evidence of the existence of a locally resonant sonic band gap in a two-dimensional stubbed plate. Structures consisting of a periodic arrangement of silicone rubber stubs deposited on a thin aluminium plate were fabricated and characterized. Brillouin spectroscopy analysis is carried out to determine the elastic constants of the used rubber. The constants are then implemented in an efficient finite-element model that predicts the band structure and transmission to identify the theoretical band gap. We measure a complete sonic band gap for the out-of-plane Lamb wave modes propagating in various samples fabricated with different stub heights. Frequency domain measurements of full wave field and transmission are performed through a scanning laser Doppler vibrometer. A complete band gap from 1.9 to 2.6 kHz is showed using a sample with 6-mm stub diameter, 5-mm thickness, and 1-cm structure periodicity. Very good agreement between numerical and experimental results is obtained.

Toward tunable band gap and tunable dirac point in bilayer graphene with molecular doping.

PubMed

Yu, Woo Jong; Liao, Lei; Chae, Sang Hoon; Lee, Young Hee; Duan, Xiangfeng

2011-11-09

The bilayer graphene has attracted considerable attention for potential applications in future electronics and optoelectronics because of the feasibility to tune its band gap with a vertical displacement field to break the inversion symmetry. Surface chemical doping in bilayer graphene can induce an additional offset voltage to fundamentally affect the vertical displacement field and the band gap opening in bilayer graphene. In this study, we investigate the effect of chemical molecular doping on band gap opening in bilayer graphene devices with single or dual gate modulation. Chemical doping with benzyl viologen molecules modulates the displacement field to allow the opening of a transport band gap and the increase of the on/off ratio in the bilayer graphene transistors. Additionally, Fermi energy level in the opened gap can be rationally controlled by the amount of molecular doping to obtain bilayer graphene transistors with tunable Dirac points, which can be readily configured into functional devices, such as complementary inverters.

Graphene-induced band gap renormalization in polythiophene: a many-body perturbation study

NASA Astrophysics Data System (ADS)

Marsusi, F.; Fedorov, I. A.; Gerivani, S.

2018-01-01

Density functional theory and many-body perturbation theory at the G0W0 level are employed to study the electronic properties of polythiophene (PT) adsorbed on the graphene surface. Analysis of the charge density difference shows that substrate-adsorbate interaction leads to a strong physisorption and interfacial electric dipole moment formation. The electrostatic potential displays a  -0.19 eV shift in the graphene work function from its initial value of 4.53 eV, as the result of the interaction. The LDA band gap of the polymer does not show any change. However, the band structure exhibits weak orbital hybridizations resulting from slight overlapping between the polymer and graphene states wave functions. The interfacial polarization effects on the band gap and levels alignment are investigated at the G0W0 level and show a notable reduction of PT band gap compared to that of the isolated chain.

Analysis on the mechanism of pulse-shortening in an X-band triaxial klystron amplifier due to the asymmetric mode competition

NASA Astrophysics Data System (ADS)

Qi, Zumin; Zhang, Jun; Xie, Yongjie; Zhang, Yi; Wang, Zehua; Zhou, Xiaofeng; Zhu, Jianhui; Zi, Yanyong; Zhong, Huihuang

2016-12-01

Asymmetric mode competitions are observed in the design of an X-band triaxial klystron amplifier with an asymmetric input cavity, and the generation mechanism of the asymmetric mode competition is analyzed in the paper. The results indicate that the asymmetric modes are excited in the buncher cavity. The asymmetric mode (coaxial TM612 mode) in the buncher cavity with the highest shunt impedance can start up first among the asymmetric modes with negative beam loading conductance. The coupling of the corresponding coaxial TE mode between the buncher and input cavity exacerbates the start oscillation of the asymmetric mode competition. The rationality of the analysis is demonstrated by cutting off the propagation of the corresponding coaxial TE modes between the buncher cavity and the input cavity, and the asymmetric mode competitions are thoroughly suppressed by specially designed reflectors and lossy material. In simulation, a microwave with a power of 1.28 GW and a frequency of 9.375 GHz is generated, and the extraction efficiency and the gain are 34.5% and 41.5 dB, respectively.

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.

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.

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

The calculation of band gap energy in zinc oxide films

NASA Astrophysics Data System (ADS)

Arif, Ali; Belahssen, Okba; Gareh, Salim; Benramache, Said

2015-01-01

We investigated the optical properties of undoped zinc oxide thin films as the n-type semiconductor; the thin films were deposited at different precursor molarities by ultrasonic spray and spray pyrolysis techniques. The thin films were deposited at different substrate temperatures ranging between 200 and 500 °C. In this paper, we present a new approach to control the optical gap energy of ZnO thin films by concentration of the ZnO solution and substrate temperatures from experimental data, which were published in international journals. The model proposed to calculate the band gap energy with the Urbach energy was investigated. The relation between the experimental data and theoretical calculation suggests that the band gap energies are predominantly estimated by the Urbach energies, film transparency, and concentration of the ZnO solution and substrate temperatures. The measurements by these proposal models are in qualitative agreements with the experimental data; the correlation coefficient values were varied in the range 0.96-0.99999, indicating high quality representation of data based on Equation (2), so that the relative errors of all calculation are smaller than 4%. Thus, one can suppose that the undoped ZnO thin films are chemically purer and have many fewer defects and less disorder owing to an almost complete chemical decomposition and contained higher optical band gap energy.

Continuously controlled optical band gap in oxide semiconductor thin films

DOE PAGES

Herklotz, Andreas; Rus, Stefania Florina; Ward, Thomas Zac

2016-02-02

The optical band gap of the prototypical semiconducting oxide SnO 2 is shown to be continuously controlled through single axis lattice expansion of nanometric films induced by low-energy helium implantation. While traditional epitaxy-induced strain results in Poisson driven multidirectional lattice changes shown to only allow discrete increases in bandgap, we find that a downward shift in the band gap can be linearly dictated as a function of out-of-plane lattice expansion. Our experimental observations closely match density functional theory that demonstrates that uniaxial strain provides a fundamentally different effect on the band structure than traditional epitaxy-induced multiaxes strain effects. In conclusion,more » charge density calculations further support these findings and provide evidence that uniaxial strain can be used to drive orbital hybridization inaccessible with traditional strain engineering techniques.« less

Effect of band gap engineering in anionic-doped TiO2 photocatalyst

NASA Astrophysics Data System (ADS)

Samsudin, Emy Marlina; Abd Hamid, Sharifah Bee

2017-01-01

A simple yet promising strategy to modify TiO2 band gap was achieved via dopants incorporation which influences the photo-responsiveness of the photocatalyst. The mesoporous TiO2 was successfully mono-doped and co-doped with nitrogen and fluorine dopants. The results indicate that band gap engineering does not necessarily requires oxygen substitution with nitrogen or/and fluorine, but from the formation of additional mid band and Ti3+ impurities states. The formation of oxygen vacancies as a result of modified color centres and Ti3+ ions facilitates solar light absorption and influences the transfer, migration and trapping of the photo-excited charge carriers. The synergy of dopants in co-doped TiO2 shows better optical properties relative to single N and F doped TiO2 with c.a 0.95 eV band gap reduction. Evidenced from XPS, the synergy between N and F in the co-doped TiO2 uplifts the valence band towards the conduction band. However, the photoluminescence data reveals poorer electrons and holes separation as compared to F-doped TiO2. This observation suggests that efficient solar light harvesting was achievable via N and F co-doping, but excessive defects could act as charge carriers trapping sites.

Sensitivity of gap symmetry to an incipient band: Application to iron based superconductors

NASA Astrophysics Data System (ADS)

Mishra, Vivek; Scalapino, Douglas; Maier, Thomas

Observation of high temperature superconductivity in iron-based superconductors with a submerged hole band has attracted wide interest. A spin fluctuation mediated pairing mechanism has been proposed as a possible explanation for the high transition temperatures observed in these systems. Here we discuss the importance of the submerged band in the context of the gap symmetry. We show that the incipient band can lead to an attractive pairing interaction and thus have significant effects on the pairing symmetry. We propose a framework to include the effect of the incipient band in the standard multi-orbital spin-fluctuation theories which are widely used for studying various iron-based superconductors. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

Coherent Optical Control of Electronic Excitations in Wide-Band-Gap Semiconductor Structures

DTIC Science & Technology

2015-05-01

ABSTRACT The main objective of this research is to study coherent quantum effects, such as Rabi oscillations in optical spectra of wide- band-gap...field corresponds to the rotation of the B vector about the pseudo field vector, Ω, with components determined by the effective Rabi frequency ( )e...to examine coherent quantum effects, such as Rabi oscillations and quantum entanglement in optical spectra of wide-band-gap materials, and to

Simultaneous band-gap narrowing and carrier-lifetime prolongation of organic–inorganic trihalide perovskites

PubMed Central

Kong, Lingping; Liu, Gang; Gong, Jue; Hu, Qingyang; Schaller, Richard D.; Dera, Przemyslaw; Zhang, Dongzhou; Liu, Zhenxian; Yang, Wenge; Zhu, Kai; Tang, Yuzhao; Wang, Chuanyi; Wei, Su-Huai; Xu, Tao; Mao, Ho-kwang

2016-01-01

The organic–inorganic hybrid lead trihalide perovskites have been emerging as the most attractive photovoltaic materials. As regulated by Shockley–Queisser theory, a formidable materials science challenge for improvement to the next level requires further band-gap narrowing for broader absorption in solar spectrum, while retaining or even synergistically prolonging the carrier lifetime, a critical factor responsible for attaining the near-band-gap photovoltage. Herein, by applying controllable hydrostatic pressure, we have achieved unprecedented simultaneous enhancement in both band-gap narrowing and carrier-lifetime prolongation (up to 70% to ∼100% increase) under mild pressures at ∼0.3 GPa. The pressure-induced modulation on pure hybrid perovskites without introducing any adverse chemical or thermal effect clearly demonstrates the importance of band edges on the photon–electron interaction and maps a pioneering route toward a further increase in their photovoltaic performance. PMID:27444014

Generalized thermoelastic wave band gaps in phononic crystals without energy dissipation

NASA Astrophysics Data System (ADS)

Wu, Ying; Yu, Kaiping; Li, Xiao; Zhou, Haotian

2016-01-01

We present a theoretical investigation of the thermoelastic wave propagation in the phononic crystals in the context of Green-Nagdhi theory by taking thermoelastic coupling into account. The thermal field is assumed to be steady. Thermoelastic wave band structures of 3D and 2D are derived by using the plane wave expansion method. For the 2D problem, the anti-plane shear mode is not affected by the temperature difference. Thermoelastic wave bands of the in-plane x-y mode are calculated for lead/silicone rubber, aluminium/silicone rubber, and aurum/silicone rubber phononic crystals. The new findings in the numerical results indicate that the thermoelastic wave bands are composed of the pure elastic wave bands and the thermal wave bands, and that the thermal wave bands can serve as the low boundary of the first band gap when the filling ratio is low. In addition, for the lead/silicone rubber phononic crystals the effects of lattice type (square, rectangle, regular triangle, and hexagon) and inclusion shape (circle, oval, and square) on the normalized thermoelastic bandwidth and the upper/lower gap boundaries are analysed and discussed. It is concluded that their effects on the thermoelastic wave band structure are remarkable.

Modulation of band gap by an applied electric field in BN-based heterostructures

NASA Astrophysics Data System (ADS)

Luo, M.; Xu, Y. E.; Zhang, Q. X.

2018-05-01

First-principles density functional theory (DFT) calculations are performed on the structural and electronic properties of the SiC/BN van der Waals (vdW) heterostructures under an external electric field (E-field). Our results reveal that the SiC/BN vdW heterostructure has a direct band gap of 2.41 eV in the raw. The results also imply that electrons are likely to transfer from BN to SiC monolayer due to the deeper potential of BN monolayer. It is also observed that, by applying an E-field, ranging from -0.50 to +0.65 V/Å, the band gap decreases from 2.41 eV to zero, which presents a parabola-like relationship around 0.0 V/Å. Through partial density of states (PDOS) plots, it is revealed that, p orbital of Si, C, B, and N atoms are responsible for the significant variations of band gap. These obtained results predict that, the electric field tunable band gap of the SiC/BN vdW heterostructures carries potential applications for nanoelectronics and spintronic device applications.

Method of manufacturing flexible metallic photonic band gap structures, and structures resulting therefrom

DOEpatents

Gupta, Sandhya; Tuttle, Gary L.; Sigalas, Mihail; McCalmont, Jonathan S.; Ho, Kai-Ming

2001-08-14

A method of manufacturing a flexible metallic photonic band gap structure operable in the infrared region, comprises the steps of spinning on a first layer of dielectric on a GaAs substrate, imidizing this first layer of dielectric, forming a first metal pattern on this first layer of dielectric, spinning on and imidizing a second layer of dielectric, and then removing the GaAs substrate. This method results in a flexible metallic photonic band gap structure operable with various filter characteristics in the infrared region. This method may be used to construct multi-layer flexible metallic photonic band gap structures. Metal grid defects and dielectric separation layer thicknesses are adjusted to control filter parameters.

Acoustic band gaps of the woodpile sonic crystal with the simple cubic lattice

NASA Astrophysics Data System (ADS)

Wu, Liang-Yu; Chen, Lien-Wen

2011-02-01

This study theoretically and experimentally investigates the acoustic band gap of a three-dimensional woodpile sonic crystal. Such crystals are built by blocks or rods that are orthogonally stacked together. The adjacent layers are perpendicular to each other. The woodpile structure is embedded in air background. Their band structures and transmission spectra are calculated using the finite element method with a periodic boundary condition. The dependence of the band gap on the width of the stacked rods is discussed. The deaf bands in the band structure are observed by comparing with the calculated transmission spectra. The experimental transmission spectra for the Γ-X and Γ-X' directions are also presented. The calculated results are compared with the experimental results.

Band Edge Dynamics and Multiexciton Generation in Narrow Band Gap HgTe Nanocrystals.

PubMed

Livache, Clément; Goubet, Nicolas; Martinez, Bertille; Jagtap, Amardeep; Qu, Junling; Ithurria, Sandrine; Silly, Mathieu G; Dubertret, Benoit; Lhuillier, Emmanuel

2018-04-11

Mercury chalcogenide nanocrystals and especially HgTe appear as an interesting platform for the design of low cost mid-infrared (mid-IR) detectors. Nevertheless, their electronic structure and transport properties remain poorly understood, and some critical aspects such as the carrier relaxation dynamics at the band edge have been pushed under the rug. Some of the previous reports on dynamics are setup-limited, and all of them have been obtained using photon energy far above the band edge. These observations raise two main questions: (i) what are the carrier dynamics at the band edge and (ii) should we expect some additional effect (multiexciton generation (MEG)) as such narrow band gap materials are excited far above the band edge? To answer these questions, we developed a high-bandwidth setup that allows us to understand and compare the carrier dynamics resonantly pumped at the band edge in the mid-IR and far above the band edge. We demonstrate that fast (>50 MHz) photoresponse can be obtained even in the mid-IR and that MEG is occurring in HgTe nanocrystal arrays with a threshold around 3 times the band edge energy. Furthermore, the photoresponse can be effectively tuned in magnitude and sign using a phototransistor configuration.

Excitonic and band-band transitions of Cu2ZnSiS4 determined from reflectivity spectra

NASA Astrophysics Data System (ADS)

Guc, M.; Levcenko, S.; Dermenji, L.; Gurieva, G.; Schorr, S.; Syrbu, N. N.; Arushanov, E.

2014-07-01

Exciton spectra of Cu2ZnSiS4 single crystals are investigated by reflection spectroscopy at 10 and 300 K for light polarized perpendicular (E⊥c) and parallel (E∥c) to the optical axis. The parameters of the excitons and dielectric constant are determined. The free carriers effective masses have been estimated. The room temperature reflectivity spectra at photon energies higher than the fundamental band gap in the polarization Е⊥с and E∥с were measured and related to the electronic band structure of Cu2ZnSiS4.

Measurement of locally resonant band gaps in a surface phononic crystal with inverted conical pillars

NASA Astrophysics Data System (ADS)

Hsu, Jin-Chen; Lin, Fan-Shun

2018-07-01

In this paper, we numerically and experimentally study locally resonant (LR) band gaps for surface acoustic waves (SAWs) in a honeycomb array of inverted conical pillars grown on the surface of a 128°YX lithium-niobate substrate. We show that the inverted conical pillars can be used to generate lower LR band gaps below the sound cone. This lowering effect is caused by the increase in the effective pillar mass without increasing the effective stiffness. We employ the finite-element method to calculate the LR band gaps and wideband slanted-finger interdigital transducers to measure the transmission of SAWs. Numerical results show that SAWs are prohibited from propagating through the structure in the lowered LR band gaps. Obvious LR band-gap lowering is observed in the experimental result of a surface phononic crystal with a honeycomb array of inverted conical pillars. The results enable enhanced control over the phononic metamaterial and surface structures, which may have applications in low-frequency waveguiding, acoustic isolation, acoustic absorbers, and acoustic filters.

Fabrication of photonic band gap materials

DOEpatents

Constant, Kristen; Subramania, Ganapathi S.; Biswas, Rana; Ho, Kai-Ming

2002-01-15

A method for forming a periodic dielectric structure exhibiting photonic band gap effects includes forming a slurry of a nano-crystalline ceramic dielectric or semiconductor material and monodisperse polymer microspheres, depositing a film of the slurry on a substrate, drying the film, and calcining the film to remove the polymer microspheres therefrom. The film may be cold-pressed after drying and prior to calcining. The ceramic dielectric or semiconductor material may be titania, and the polymer microspheres may be polystyrene microspheres.

Monolithic phononic crystals with a surface acoustic band gap from surface phonon-polariton coupling.

PubMed

Yudistira, D; Boes, A; Djafari-Rouhani, B; Pennec, Y; Yeo, L Y; Mitchell, A; Friend, J R

2014-11-21

We theoretically and experimentally demonstrate the existence of complete surface acoustic wave band gaps in surface phonon-polariton phononic crystals, in a completely monolithic structure formed from a two-dimensional honeycomb array of hexagonal shape domain-inverted inclusions in single crystal piezoelectric Z-cut lithium niobate. The band gaps appear at a frequency of about twice the Bragg band gap at the center of the Brillouin zone, formed through phonon-polariton coupling. The structure is mechanically, electromagnetically, and topographically homogeneous, without any physical alteration of the surface, offering an ideal platform for many acoustic wave applications for photonics, phononics, and microfluidics.

Optical band gap tuning and electrical properties of polyaniline and its nanocomposites for hybrid solar cell application

NASA Astrophysics Data System (ADS)

Singh, R.; Choudhary, R. B.; Kandulna, R.

2018-05-01

Hcl doped conducting polyaniline-CdS nanocomposite has been prepared via In-situ polymerization in which cadmium nitrate was used as a source for cadmium. The structural morphology was investigated using FESEM and the presence of fibrous polyaniline and CdS nanoparticles. The synthesis of CdS and polyaniline was confirmed using the XRD analysis. I-V characteristic was used to explore the electrical behavior of PANI and its nanocoposites. Optical properties were studied and minimum band gap with highest band absorbance was found for synergistic concentration PANI-CdS (10%) for solar cells application.

Orbital controlled band gap engineering of tetragonal BiFeO 3 for optoelectronic applications

DOE PAGES

Qiao, L.; Zhang, S.; Xiao, H. Y.; ...

2018-01-01

Bismuth ferrite BiFeO 3 (BFO) is an important ferroelectric material for thin-film optoelectronic sensing and potential photovoltaic applications. Its relatively large band gap, however, limits the conversion efficiency of BFO absorber-based PV devices. In this study, based on density functional theory calculations we demonstrate that with well-designed Fe-site elemental substitution, tetragonal BFO can exhibit a much lower fundamental band gap than conventional rhombohedral BFO without forming in-gap electronic states and unravel the underlying mechanisms. Cation atomic size, electronegativity, and crystallographic symmetry are evidenced as critical parameters to tailor the metal 3d – oxygen 2p orbital interactions and thus intrinsically modifymore » electronic structure, particularly, the shape and character of the valence and conduction band edges. With reduced band gap, improved mobility, and uncompromised ferroelectric and magnetic ground states, the present results provide a new strategy of designing high symmetry BFO for efficient optoelectronic applications.« less

Orbital controlled band gap engineering of tetragonal BiFeO 3 for optoelectronic applications

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

Qiao, L.; Zhang, S.; Xiao, H. Y.

Bismuth ferrite BiFeO 3 (BFO) is an important ferroelectric material for thin-film optoelectronic sensing and potential photovoltaic applications. Its relatively large band gap, however, limits the conversion efficiency of BFO absorber-based PV devices. In this study, based on density functional theory calculations we demonstrate that with well-designed Fe-site elemental substitution, tetragonal BFO can exhibit a much lower fundamental band gap than conventional rhombohedral BFO without forming in-gap electronic states and unravel the underlying mechanisms. Cation atomic size, electronegativity, and crystallographic symmetry are evidenced as critical parameters to tailor the metal 3d – oxygen 2p orbital interactions and thus intrinsically modifymore » electronic structure, particularly, the shape and character of the valence and conduction band edges. With reduced band gap, improved mobility, and uncompromised ferroelectric and magnetic ground states, the present results provide a new strategy of designing high symmetry BFO for efficient optoelectronic applications.« less

Band gap engineering of N-alloyed Ga{sub 2}O{sub 3} thin films

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

Song, Dongyu; Li, Bingsheng, E-mail: libingsheng@hit.edu.cn, E-mail: ashen@ccny.cuny.edu; Sui, Yu

2016-06-15

The authors report the tuning of band gap of GaON ternary alloy in a wide range of 2.75 eV. The samples were prepared by a two-step nitridation method. First, the samples were deposited on 2-inch fused silica substrates by megnetron sputtering with NH{sub 3} and Ar gas for 60 minutes. Then they were annealed in NH{sub 3} ambience at different temperatures. The optical band gap energies are calculated from transmittance measurements. With the increase of nitridation temperature, the band gap gradually decreases from 4.8 eV to 2.05 eV. X-ray diffraction results indicate that as-deposited amorphous samples can crystallize into monoclinicmore » and hexagonal structures after they were annealed in oxygen or ammonia ambience, respectively. The narrowing of the band gap is attributed to the enhanced repulsion of N2p -Ga3d orbits and formation of hexagonal structure.« less

Direct graphene growth on MgO: origin of the band gap.

PubMed

Gaddam, Sneha; Bjelkevig, Cameron; Ge, Siping; Fukutani, Keisuke; Dowben, Peter A; Kelber, Jeffry A

2011-02-23

A 2.5 monolayer (ML) thick graphene film grown by chemical vapor deposition of thermally dissociated C(2)H(4) on MgO(111), displays a significant band gap. The apparent six-fold low energy electron diffraction (LEED) pattern actually consists of two three-fold patterns with different 'A' and 'B' site diffraction intensities. Similar effects are observed for the LEED patterns of a 1 ML carbon film derived from annealing adventitious carbon on MgO(111), and for a 1.5 ML thick graphene film grown by sputter deposition on the 1 ML film. The LEED data indicate different electron densities at the A and B sites of the graphene lattice, suggesting that the observed band gap results from lifting the graphene HOMO/LUMO degeneracy at the Dirac point. The data also indicate that disparities in A site/B site LEED intensities decrease with increasing carbon overlayer thickness, suggesting that the graphene band gap size decreases with increasing number of graphene layers on MgO(111). © 2011 IOP Publishing Ltd

Doping induced carrier and band-gap modulation in bulk versus nano for topological insulators: A test case of Stibnite

NASA Astrophysics Data System (ADS)

Maji, Tuhin Kumar; Pal, Samir Kumar; Karmakar, Debjani

2018-04-01

We aim at comparing the electronic properties of topological insulator Sb2S3 in bulk and Nanorod using density-functional scheme and investigating the effects of Se-doping at chalcogen-site. While going from bulk to nano, there is a drastic change in the band gap due to surface-induced strain. However, the trend of band gap modulation with increased Se doping is more prominent in bulk. Interestingly, Se-doping introduces different type of carriers in bulk and nano.

Complete band gaps of phononic crystal plates with square rods.

PubMed

El-Naggar, Sahar A; Mostafa, Samia I; Rafat, Nadia H

2012-04-01

Much of previous work has been devoted in studying complete band gaps for bulk phononic crystal (PC). In this paper, we theoretically investigate the existence and widths of these gaps for PC plates. We focus our attention on steel rods of square cross sectional area embedded in epoxy matrix. The equations for calculating the dispersion relation for square rods in a square or a triangular lattice have been derived. Our analysis is based on super cell plane wave expansion (SC-PWE) method. The influence of inclusions filling factor and plate thickness on the existence and width of the phononic band gaps has been discussed. Our calculations show that there is a certain filling factor (f=0.55) below which arrangement of square rods in a triangular lattice is superior to the arrangement in a square lattice. A comparison between square and circular cross sectional rods reveals that the former has superior normalized gap width than the latter in case of a square lattice. This situation is switched in case of a triangular lattice. Moreover, a maximum normalized gap width of 0.7 can be achieved for PC plate of square rods embedded in a square lattice and having height 90% of the lattice constant. Copyright © 2011 Elsevier B.V. All rights reserved.

Hydrazine solution processed Sb2S3, Sb2Se3 and Sb2(S1−xSex)3 film: molecular precursor identification, film fabrication and band gap tuning

PubMed Central

Yang, Bo; Xue, Ding-Jiang; Leng, Meiying; Zhong, Jie; Wang, Liang; Song, Huaibing; Zhou, Ying; Tang, Jiang

2015-01-01

Sb2(S1−xSex)3 (0 ≤ x ≤ 1) compounds have been proposed as promising light-absorbing materials for photovoltaic device applications. However, no systematic study on the synthesis and characterization of polycrystalline Sb2(S1−xSex)3 thin films has been reported. Here, using a hydrazine based solution process, single-phase Sb2(S1−xSex)3 films were successfully obtained. Through Raman spectroscopy, we have investigated the dissolution mechanism of Sb in hydrazine: 1) the reaction between Sb and S/Se yields [Sb4S7]2-/[Sb4Se7]2- ions within their respective solutions; 2) in the Sb-S-Se precursor solutions, Sb, S, and Se were mixed on a molecular level, facilitating the formation of highly uniform polycrystalline Sb2(S1−xSex)3 thin films at a relatively low temperature. UV-vis-NIR transmission spectroscopy revealed that the band gap of Sb2(S1−xSex)3 alloy films had a quadratical relationship with the Se concentration x and it followed the equation , where the bowing parameter was 0.118 eV. Our study provides a valuable guidance for the adjustment and optimization of the band gap in hydrazine solution processed Sb2(S1−xSex)3 alloy films for the future fabrication of improved photovoltaic devices. PMID:26042519

Sensitive detection of surface- and size-dependent direct and indirect band gap transitions in ferritin.

PubMed

Colton, J S; Erickson, S D; Smith, T J; Watt, R K

2014-04-04

Ferritin is a protein nano-cage that encapsulates minerals inside an 8 nm cavity. Previous band gap measurements on the native mineral, ferrihydrite, have reported gaps as low as 1.0 eV and as high as 2.5-3.5 eV. To resolve this discrepancy we have used optical absorption spectroscopy, a well-established technique for measuring both direct and indirect band gaps. Our studies included controls on the protein nano-cage, ferritin with the native ferrihydrite mineral, and ferritin with reconstituted ferrihydrite cores of different sizes. We report measurements of an indirect band gap for native ferritin of 2.140 ± 0.015 eV (579.7 nm), with a direct transition appearing at 3.053 ± 0.005 eV (406.1 nm). We also see evidence of a defect-related state having a binding energy of 0.220 ± 0.010 eV . Reconstituted ferrihydrite minerals of different sizes were also studied and showed band gap energies which increased with decreasing size due to quantum confinement effects. Molecules that interact with the surface of the mineral core also demonstrated a small influence following trends in ligand field theory, altering the native mineral's band gap up to 0.035 eV.

Residual stress dependant anisotropic band gap of various (hkl) oriented BaI{sub 2} films

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

Kumar, Pradeep; Gulia, Vikash; Vedeshwar, Agnikumar G., E-mail: agni@physics.du.ac.in, E-mail: agvedeshwar@gmail.com

2013-11-21

The thermally evaporated layer structured BaI{sub 2} grows in various completely preferred (hkl) film orientations with different growth parameters like film thickness, deposition rate, substrate temperature, etc. which were characterized by structural, morphological, and optical absorption measurements. Structural analysis reveals the strain in the films and the optical absorption shows a direct type band gap. The varying band gaps of these films were found to scale linearly with their strain. The elastic moduli and other constants were also calculated using Density Functional Theory (DFT) formalism implemented in WIEN2K code for converting the strain into residual stress. Films of different sixmore » (hkl) orientations show stress free anisotropic band gaps (2.48–3.43 eV) and both positive and negative pressure coefficients. The negative and positive pressure coefficients of band gap are attributed to the strain in I-I (or Ba-Ba or both) and Ba-I distances along [hkl], respectively. The calculated band gaps are also compared with those experimentally determined. The average pressure coefficient of band gap of all six orientations (−0.071 eV/GPa) found to be significantly higher than that calculated (−0.047 eV/GPa) by volumetric pressure dependence. Various these issues have been discussed with consistent arguments. The electron effective mass m{sub e}{sup *}=0.66m{sub 0} and the hole effective mass m{sub h}{sup *}=0.53m{sub 0} have been determined from the calculated band structure.« less

Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration.

PubMed

Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

2016-11-04

We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses.

Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration

PubMed Central

Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

2016-01-01

We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses. PMID:27812035

Coupled polaritonic band gaps in the anisotropic piezoelectric superlattices

NASA Astrophysics Data System (ADS)

Tang, Zheng-Hua; Jiang, Zheng-Sheng; Chen, Tao; Jiang, Chun-Zhi; Lei, Da-Jun; Huang, Jian-Quan; Qiu, Feng; Yao, Min; Huang, Xiao-Yi

2018-01-01

Anisotropic piezoelectric superlattices (APSs) with the periodic arrangement of polarized anisotropic piezoelectric domains in a certain direction are presented, in which the coupled polaritonic band gaps (CPBGs) can be obtained in the whole Brillouin Zone and the maximum relative bandwidth (band-gap sizes divided by their midgap frequencies) of 5.1% can be achieved. The general characteristics of the APSs are similar to those of the phononic crystals composed of two types of materials, with the main difference being the formation mechanism of the CPBGs, which originate from the couplings between lattice vibrations along two different directions and electromagnetic waves rather than from the periodical modulation of density and elastic constants. In addition, there are no lattice mismatches because the APSs are made of the same material. Thus, the APSs can also be extended to the construction of novel acousto-optic devices.

Quasiparticle band gap of organic-inorganic hybrid perovskites: Crystal structure, spin-orbit coupling, and self-energy effects

NASA Astrophysics Data System (ADS)

Gao, Weiwei; Gao, Xiang; Abtew, Tesfaye A.; Sun, Yi-Yang; Zhang, Shengbai; Zhang, Peihong

2016-02-01

The quasiparticle band gap is one of the most important materials properties for photovoltaic applications. Often the band gap of a photovoltaic material is determined (and can be controlled) by various factors, complicating predictive materials optimization. An in-depth understanding of how these factors affect the size of the gap will provide valuable guidance for new materials discovery. Here we report a comprehensive investigation on the band gap formation mechanism in organic-inorganic hybrid perovskites by decoupling various contributing factors which ultimately determine their electronic structure and quasiparticle band gap. Major factors, namely, quasiparticle self-energy, spin-orbit coupling, and structural distortions due to the presence of organic molecules, and their influences on the quasiparticle band structure of organic-inorganic hybrid perovskites are illustrated. We find that although methylammonium cations do not contribute directly to the electronic states near band edges, they play an important role in defining the band gap by introducing structural distortions and controlling the overall lattice constants. The spin-orbit coupling effects drastically reduce the electron and hole effective masses in these systems, which is beneficial for high carrier mobilities and small exciton binding energies.

Thermal tuning on band gaps of 2D phononic crystals considering adhesive layers

NASA Astrophysics Data System (ADS)

Zhou, Xiaoliang; Chen, Jialin; Li, Yuhang; Sun, Yuxin; Xing, Yufeng

2018-02-01

Phononic crystals are very attractive in many applications, such as noise reduction, filters and vibration isolation, due to their special forbidden band gap structures. In the present paper, the investigation of tunable band gaps of 2D phononic crystals with adhesive layers based on thermal changing is conducted. Based on the lumped-mass method, an analytical model of 2D phononic crystals with relatively thin adhesive layers is established, in which the in-plane and out-of-plane modes are both in consideration. The adhesive material is sensitive to temperature so that the band structure can be tuned and controlled by temperature variation. As temperature increases from 20 °C-80 °C, the first band gap shifts to the frequency zone around 10 kHz, which is included by the audible frequency range. The results propose an important guideline for applications, such as noise suppression using the 2D phononic crystals.

Prediction of large gap flat Chern band in a two-dimensional metal-organic framework

NASA Astrophysics Data System (ADS)

Su, Ninghai; Jiang, Wei; Wang, Zhengfei; Liu, Feng

2018-01-01

Systems with a flat Chern band have been extensively studied for their potential to realize high-temperature fractional quantum Hall states. To experimentally observe the quantum transport properties, a sizable topological gap is highly necessary. Here, taking advantage of the high tunability of two-dimensional (2D) metal-organic frameworks (MOFs), whose crystal structures can be easily tuned using different metal atoms and molecular ligands, we propose a design of a 2D MOF [Tl2(C6H4)3, Tl2Ph3] showing nontrivial topological states with an extremely large gap in both the nearly flat Chern band and the Dirac bands. By coordinating π-conjugated thallium ions and benzene rings, crystalline Tl2Ph3 can be formed with Tl and Ph constructing honeycomb and kagome lattices, respectively. The px,y orbitals of Tl on the honeycomb lattice form ideal pxy four-bands, through which a flat Chern band with a spin-orbit coupling (SOC) gap around 140 meV evolves below the Fermi level. This is the largest SOC gap among all the theoretically proposed organic topological insulators so far.

Electronic band structure of ReS2 by high-resolution angle-resolved photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Webb, James L.; Hart, Lewis S.; Wolverson, Daniel; Chen, Chaoyu; Avila, Jose; Asensio, Maria C.

2017-09-01

The rhenium-based transition metal dichalcogenides (TMDs) are atypical of the TMD family due to their highly anisotropic crystalline structure and are recognized as promising materials for two-dimensional heterostructure devices. The nature of the band gap (direct or indirect) for bulk, few-, and single-layer forms of ReS2 is of particular interest, due to its comparatively weak interplanar interaction. However, the degree of interlayer interaction and the question of whether a transition from indirect to direct gap is observed on reducing thickness (as in other TMDs) are controversial. We present a direct determination of the valence band structure of bulk ReS2 using high-resolution angle-resolved photoemission spectroscopy. We find a clear in-plane anisotropy due to the presence of chains of Re atoms, with a strongly directional effective mass which is larger in the direction orthogonal to the Re chains (2.2 me ) than along them (1.6 me ). An appreciable interplane interaction results in an experimentally measured difference of ≈100 -200 meV between the valence band maxima at the Z point (0,0,1/2 ) and the Γ point (0,0,0) of the three-dimensional Brillouin zone. This leads to a direct gap at Z and a close-lying but larger gap at Γ , implying that bulk ReS2 is marginally indirect. This may account for recent conflicting transport and photoluminescence measurements and the resulting uncertainty about the nature of the band gap in this material.

Engineering the Band Gap States of the Rutile TiO2 (110) Surface by Modulating the Active Heteroatom.

PubMed

Yu, Yaoguang; Yang, Xu; Zhao, Yanling; Zhang, Xiangbin; An, Liang; Huang, Miaoyan; Chen, Gang; Zhang, Ruiqin

2018-04-19

Introducing band gap states to TiO 2 photocatalysts is an efficient strategy for expanding the range of accessible energy available in the solar spectrum. However, few approaches are able to introduce band gap states and improve photocatalytic performance simultaneously. Introducing band gap states by creating surface disorder can incapacitate reactivity where unambiguous adsorption sites are a prerequisite. An alternative method for introduction of band gap states is demonstrated in which selected heteroatoms are implanted at preferred surface sites. Theoretical prediction and experimental verification reveal that the implanted heteroatoms not only introduce band gap states without creating surface disorder, but also function as active sites for the Cr VI reduction reaction. This promising approach may be applicable to the surfaces of other solar harvesting materials where engineered band gap states could be used to tune photophysical and -catalytic properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of defects on the absorption edge of InN thin films: The band gap value

NASA Astrophysics Data System (ADS)

Thakur, J. S.; Danylyuk, Y. V.; Haddad, D.; Naik, V. M.; Naik, R.; Auner, G. W.

2007-07-01

We investigate the optical-absorption spectra of InN thin films whose electron density varies from ˜1017tõ1021cm-3 . The low-density films are grown by molecular-beam-epitaxy deposition while highly degenerate films are grown by plasma-source molecular-beam epitaxy. The optical-absorption edge is found to increase from 0.61to1.90eV as the carrier density of the films is increased from low to high density. Since films are polycrystalline and contain various types of defects, we discuss the band gap values by studying the influence of electron degeneracy, electron-electron, electron-ionized impurities, and electron-LO-phonon interaction self-energies on the spectral absorption coefficients of these films. The quasiparticle self-energies of the valence and conduction bands are calculated using dielectric screening within the random-phase approximation. Using one-particle Green’s function analysis, we self-consistently determine the chemical potential for films by coupling equations for the chemical potential and the single-particle scattering rate calculated within the effective-mass approximation for the electron scatterings from ionized impurities and LO phonons. By subtracting the influence of self-energies and chemical potential from the optical-absorption edge energy, we estimate the intrinsic band gap values for the films. We also determine the variations in the calculated band gap values due to the variations in the electron effective mass and static dielectric constant. For the lowest-density film, the estimated band gap energy is ˜0.59eV , while for the highest-density film, it varies from ˜0.60tõ0.68eV depending on the values of electron effective mass and dielectric constant.

Theoretical aspects of photonic band gap in 1D nano structure of LN: MgLN periodic layer

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

Sisodia, Namita, E-mail: namitasisodiya@gmail.com

2015-06-24

By using the transfer matrix method, we have analyzed the photonic band gap properties in a periodic layer of LN:MgLN medium. The Width of alternate layers of LN and MgLN is in the range of hundred nanometers. The birefringent and ferroelectric properties of the medium (i.e ordinary, extraordinary refractive indices and electric dipole moment) is given due considerations in the formulation of photonic band gap. Effect of electronic transition dipole moment of the medium on photonic band gap is also taken into account. We find that photonic band gap can be modified by the variation in the ratio of themore » width of two medium. We explain our findings by obtaining numerical values and the effect on the photonic band gap due to variation in the ratio of alternate medium is shown graphically.« less

Photonic-band-gap gyrotron amplifier with picosecond pulses

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

Nanni, Emilio A.; Jawla, Sudheer; Lewis, Samantha M.

Here, we report the amplification of 250 GHz pulses as short as 260 ps without observation of pulse broadening using a photonic-band-gap circuit gyrotron traveling-wave-amplifier. The gyrotron amplifier operates with a device gain of 38 dB and an instantaneous bandwidth of 8 GHz. The operational bandwidth of the amplifier can be tuned over 16 GHz by adjusting the operating voltage of the electron beam and the magnetic field. The amplifier uses a 30 cm long photonic-band-gap interaction circuit to confine the desired TE 03-like operating mode while suppressing lower order modes which can result in undesired oscillations. The circuit gainmore » is >55 dB for a beam voltage of 23 kV and a current of 700 mA. These results demonstrate the wide bandwidths and a high gain achievable with gyrotron amplifiers. The amplification of picosecond pulses of variable lengths, 260–800 ps, shows good agreement with the theory using the coupled dispersion relation and the gain-spectrum of the amplifier as measured with quasi-CW input pulses.« less

Photonic-band-gap gyrotron amplifier with picosecond pulses

DOE PAGES

Nanni, Emilio A.; Jawla, Sudheer; Lewis, Samantha M.; ...

2017-12-05

Here, we report the amplification of 250 GHz pulses as short as 260 ps without observation of pulse broadening using a photonic-band-gap circuit gyrotron traveling-wave-amplifier. The gyrotron amplifier operates with a device gain of 38 dB and an instantaneous bandwidth of 8 GHz. The operational bandwidth of the amplifier can be tuned over 16 GHz by adjusting the operating voltage of the electron beam and the magnetic field. The amplifier uses a 30 cm long photonic-band-gap interaction circuit to confine the desired TE 03-like operating mode while suppressing lower order modes which can result in undesired oscillations. The circuit gainmore » is >55 dB for a beam voltage of 23 kV and a current of 700 mA. These results demonstrate the wide bandwidths and a high gain achievable with gyrotron amplifiers. The amplification of picosecond pulses of variable lengths, 260–800 ps, shows good agreement with the theory using the coupled dispersion relation and the gain-spectrum of the amplifier as measured with quasi-CW input pulses.« less

Nonlinear Bloch waves in metallic photonic band-gap filaments

NASA Astrophysics Data System (ADS)

Kaso, Artan; John, Sajeev

2007-11-01

We demonstrate the occurrence of nonlinear Bloch waves in metallic photonic crystals (PCs). These periodically structured filaments are characterized by an isolated optical pass band below an effective plasma gap. The pass band occurs in a frequency range where the metallic filament exhibits a negative, frequency-dependent dielectric function and absorption loss. The metallic losses are counterbalanced by gain in two models of inhomogeneously broadened nonlinear oscillators. In the first model, we consider close-packed quantum dots that fill the void regions of a two-dimensional (2D) metallic PC, and whose inhomogeneously broadened emission spectrum spans the original optical pass band of the bare filament. In the second model, we consider thin (10 50 nm) layers of inhomogeneously broadened two-level resonators, with large dipole oscillator strength, that cover the interior surfaces of 2D metallic (silver and tungsten) PCs. These may arise from localized surface plasmon resonances due to small metal particles or an otherwise rough metal surface. For simplicity, we treat electromagnetic modes with electric field perpendicular to the plane of metal periodicity. In both models, a pumping threshold of the resonators is found, above which periodic nonlinear solutions of Maxwell’s equations with purely real frequency within the optical pass band emerge. These nonlinear Bloch waves exhibit a laserlike input pumping to output amplitude characteristic. For strong surface resonances, these nonlinear waves may play a role in light emission from a hot tungsten (suitably microstructured) filament.

Direct optical band gap measurement in polycrystalline semiconductors: A critical look at the Tauc method

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

Dolgonos, Alex; Mason, Thomas O.; Poeppelmeier, Kenneth R., E-mail: krp@northwestern.edu

2016-08-15

The direct optical band gap of semiconductors is traditionally measured by extrapolating the linear region of the square of the absorption curve to the x-axis, and a variation of this method, developed by Tauc, has also been widely used. The application of the Tauc method to crystalline materials is rooted in misconception–and traditional linear extrapolation methods are inappropriate for use on degenerate semiconductors, where the occupation of conduction band energy states cannot be ignored. A new method is proposed for extracting a direct optical band gap from absorption spectra of degenerately-doped bulk semiconductors. This method was applied to pseudo-absorption spectramore » of Sn-doped In{sub 2}O{sub 3} (ITO)—converted from diffuse-reflectance measurements on bulk specimens. The results of this analysis were corroborated by room-temperature photoluminescence excitation measurements, which yielded values of optical band gap and Burstein–Moss shift that are consistent with previous studies on In{sub 2}O{sub 3} single crystals and thin films. - Highlights: • The Tauc method of band gap measurement is re-evaluated for crystalline materials. • Graphical method proposed for extracting optical band gaps from absorption spectra. • The proposed method incorporates an energy broadening term for energy transitions. • Values for ITO were self-consistent between two different measurement methods.« less

Multi-frequency klystron designed for high efficiency

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

Jensen, Aaron

A multi-frequency klystron has an electron gun which generates a beam, a circuit of bunch-align-collect (BAC) tuned cavities that bunch the beam and amplify an RF signal, a collector where the beam is collected and dumped, and a standard output cavity and waveguide coupled to a window to output RF power at a fundamental mode to an external load. In addition, the klystron has additional bunch-align-collect (BAC) cavities tuned to a higher harmonic frequency, and a harmonic output cavity and waveguide coupled via a window to an additional external load.

Electronegativity calculation of bulk modulus and band gap of ternary ZnO-based alloys

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

Li, Keyan; Kang, Congying; Xue, Dongfeng, E-mail: dongfeng@ciac.jl.cn

2012-10-15

In this work, the bulk moduli and band gaps of M{sub x}Zn{sub 1−x}O (M = Be, Mg, Ca, Cd) alloys in the whole composition range were quantitatively calculated by using the electronegativity-related models for bulk modulus and band gap, respectively. We found that the change trends of bulk modulus and band gap with an increase of M concentration x are same for Be{sub x}Zn{sub 1−x}O and Cd{sub x}Zn{sub 1−x}O, while the change trends are reverse for Mg{sub x}Zn{sub 1−x}O and Ca{sub x}Zn{sub 1−x}O. It was revealed that the bulk modulus is related to the valence electron density of atoms whereasmore » the band gap is strongly influenced by the detailed chemical bonding behaviors of constituent atoms. The current work provides us a useful guide to compositionally design advanced alloy materials with both good mechanical and optoelectronic properties.« less

Anisotropic Effective Mass, Optical Property, and Enhanced Band Gap in BN/Phosphorene/BN Heterostructures.

PubMed

Hu, Tao; Hong, Jisang

2015-10-28

Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, the phosphorus has a trouble of degradation due to oxidation. Hereby, we propose that the electrical and optical anisotropic properties can be preserved by encapsulating into hexagonal boron nitride (h-BN). We found that the h-BN contributed to enhancing the band gap of the phosphorene layer. Comparing the band gap of the pristine phosphorene layer, the band gap of the phosphorene/BN(1ML) system was enhanced by 0.15 eV. It was further enhanced by 0.31 eV in the BN(1ML)/phosphorene/BN(1ML) trilayer structure. However, the band gap was not further enhanced when we increased the thickness of the h-BN layers even up to 4 MLs. Interestingly, the anisotropic effective mass and optical property were still preserved in BN/phosphorene/BN heterostructures. Overall, we predict that the capping of phosphorene by the h-BN layers can be an excellent solution to protect the intrinsic properties of the phosphorene.

Structural studies and band gap tuning of Cr doped ZnO nanoparticles

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

Srinet, Gunjan, E-mail: gunjansrinet@gmail.com; Kumar, Ravindra, E-mail: gunjansrinet@gmail.com; Sajal, Vivek, E-mail: gunjansrinet@gmail.com

2014-04-24

Structural and optical properties of Cr doped ZnO nanoparticles prepared by the thermal decomposition method are presented. X-ray diffraction studies confirmed the substitution of Cr on Zn sites without changing the wurtzite structure of ZnO. Modified form of W-H equations was used to calculate various physical parameters and their variation with Cr doping is discussed. Significant red shift was observed in band gap, i.e., a band gap tuning is achieved by Cr doping which could eventually be useful for optoelectronic applications.

Calculation of optical band gaps of a-Si:H thin films by ellipsometry and UV-Vis spectrophotometry

NASA Astrophysics Data System (ADS)

Qiu, Yijiao; Li, Wei; Wu, Maoyang; Fu, Junwei; Jiang, Yadong

2010-10-01

Hydrogenated amorphous silicon (a-Si:H) thin films doped with Phosphorus (P) and Nitrogen (N) were deposited by radio frequency plasma enhanced chemical vapor deposition (RF-PECVD). The optical band gaps of the thin films obtained through either changing the gas pressure (P-doped only) or adulterating nitrogen concentration (with fixed P content) were investigated by means of Ellipsometric and Ultraviolet-Visible (UV-Vis) spectroscopy, respectively. Tauc formula was used in calculating the optical band gaps of the thin films in both methods. The results show that Ellipsometry and UV-Vis spectrophotometry can be applied in the research of the optical properties of a-Si:H thin films experimentally. Both methods reflect the variation law of the optical band gaps caused by CVD process parameters, i.e., the optical band gap of the a-Si:H thin films is increased with the rise of the gas pressure or the nitrogen concentration respectively. The difference in optical band gaps of the doped a-Si:H thin films calculated by Ellipsometry or UV-Vis spectrophotometry are not so great that they both can be used to measure the optical band gaps of the thin films in practical applications.

Second-harmonic generation at angular incidence in a negative-positive index photonic band-gap structure.

PubMed

D'Aguanno, Giuseppe; Mattiucci, Nadia; Scalora, Michael; Bloemer, Mark J

2006-08-01

In the spectral region where the refractive index of the negative index material is approximately zero, at oblique incidence, the linear transmission of a finite structure composed of alternating layers of negative and positive index materials manifests the formation of a new type of band gap with exceptionally narrow band-edge resonances. In particular, for TM-polarized (transverse magnetic) incident waves, field values that can be achieved at the band edge may be much higher compared to field values achievable in standard photonic band-gap structures. We exploit the unique properties of these band-edge resonances for applications to nonlinear frequency conversion, second-harmonic generation, in particular. The simultaneous availability of high field localization and phase matching conditions may be exploited to achieve second-harmonic conversion efficiencies far better than those achievable in conventional photonic band-gap structures. Moreover, we study the role played by absorption within the negative index material, and find that the process remains efficient even for relatively high values of the absorption coefficient.

Exploring the charge localization and band gap opening of borophene: a first-principles study.

PubMed

Kistanov, Andrey A; Cai, Yongqing; Zhou, Kun; Srikanth, Narasimalu; Dmitriev, Sergey V; Zhang, Yong-Wei

2018-01-18

Recently synthesized two-dimensional (2D) boron, borophene, exhibits a novel metallic behavior rooted in the s-p orbital hybridization, distinctively different from other 2D materials such as sulfides/selenides and semi-metallic graphene. This unique feature of borophene implies new routes for charge delocalization and band gap opening. Herein, using first-principles calculations, we explore the routes to localize the carriers and open the band gap of borophene via chemical functionalization, ribbon construction, and defect engineering. The metallicity of borophene is found to be remarkably robust against H- and F-functionalization and the presence of vacancies. Interestingly, a strong odd-even oscillation of the electronic structure with width is revealed for H-functionalized borophene nanoribbons, while an ultra-high work function (∼7.83 eV) is found for the F-functionalized borophene due to its strong charge transfer to the atomic adsorbates.

Widely tunable band gap in a multivalley semiconductor SnSe by potassium doping

NASA Astrophysics Data System (ADS)

Zhang, Kenan; Deng, Ke; Li, Jiaheng; Zhang, Haoxiong; Yao, Wei; Denlinger, Jonathan; Wu, Yang; Duan, Wenhui; Zhou, Shuyun

2018-05-01

SnSe, a group IV-VI monochalcogenide with layered crystal structure similar to black phosphorus, has recently attracted extensive interest due to its excellent thermoelectric properties and potential device applications. Experimental electronic structure of both the valence and conduction bands is critical for understanding the effects of hole versus electron doping on the thermoelectric properties, and to further reveal possible change of the band gap upon doping. Here, we report the multivalley valence bands with a large effective mass on semiconducting SnSe crystals and reveal single-valley conduction bands through electron doping to provide a complete picture of the thermoelectric physics. Moreover, by electron doping through potassium deposition, the band gap of SnSe can be widely tuned from 1.2 eV to 0.4 eV, providing new opportunities for tunable electronic and optoelectronic devices.

Multiband frequency-reconfigurable antenna using metamaterial structure of electromagnetic band gap

NASA Astrophysics Data System (ADS)

Dewan, Raimi; Rahim, M. K. A.; Himdi, Mohamed; Hamid, M. R.; Majid, H. A.; Jalil, M. E.

2017-01-01

A metamaterial of electromagnetic band gap (EBG) is incorporated to an antenna for frequency reconfigurability is proposed. The EBG consists of two identical unit cells that provide multiple band gaps at 1.88-1.94, 2.25-2.44, 2.67-2.94, 3.52-3.54, and 5.04-5.70 GHz with different EBG configurations. Subsequently, the antenna is incorporated with EBG. The corresponding incorporated structure successfully achieves various reconfigurable frequencies at 1.60, 1.91, 2.41, 3.26, 2.87, 5.21, and 5.54 GHz. The antenna has the potential to be implemented for Bluetooth, Wi-Fi, WiMAX, LTE, and cognitive radio applications.

A new approach to high-efficiency multi-band-gap solar cells

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

Barnham, K.W.J.; Duggan, G.

1990-04-01

The advantages of using multi-quantum-well or superlattice systems as the absorbers in concentrator solar cells are discussed. By adjusting the quantum-well width, an effective band-gap variation that covers the high-efficiency region of the solar spectrum can be obtained. Higher efficiencies should result from the ability to optimize separately current and voltage generating factors. Suitable structures to ensure good carrier separation and collection and to obtain higher open-circuit voltages are presented using the (AlGa)As/GaAs/(InGa)As system. Efficiencies above existing single-band-gap limits should be achievable, with upper limits in excess of 40%.

Numerical modelling of Mars supersonic disk-gap-band parachute inflation

NASA Astrophysics Data System (ADS)

Gao, Xinglong; Zhang, Qingbin; Tang, Qiangang

2016-06-01

The transient dynamic behaviour of supersonic disk-gap-band parachutes in a Mars entry environment involving fluid structure interactions is studied. Based on the multi-material Arbitrary Lagrange-Euler method, the coupling dynamic model between a viscous compressible fluid and a flexible large deformation structure of the parachute is solved. The inflation performance of a parachute with a fixed forebody under different flow conditions is analysed. The decelerating parameters of the parachute, including drag area, opening loads, and coefficients, are obtained from the supersonic wind tunnel test data from NASA. Meanwhile, the evolution of the three-dimensional shape of the disk-gap-band parachute during supersonic inflation is presented, and the structural dynamic behaviour of the parachute is predicted. Then, the influence of the presence of the capsule on the flow field of the parachute is investigated, and the wake of unsteady fluid and the distribution of shock wave around the supersonic parachute are presented. Finally, the structural dynamic response of the canopy fabric under high-pressure conditions is comparatively analysed. The results show that the disk-gap-band parachute is well inflated without serious collapse. As the Mach numbers increase from 2.0 to 2.5, the drag coefficients gradually decrease, along with a small decrease in inflation time, which corresponds with test results, and proves the validity of the method proposed in this paper.

Band-gap tunable dielectric elastomer filter for low frequency noise

NASA Astrophysics Data System (ADS)

Jia, Kun; Wang, Mian; Lu, Tongqing; Zhang, Jinhua; Wang, Tiejun

2016-05-01

In the last decades, diverse materials and technologies for sound insulation have been widely applied in engineering. However, suppressing the noise radiation at low frequency still remains a challenge. In this work, a novel membrane-type smart filter, consisting of a pre-stretched dielectric elastomer membrane with two compliant electrodes coated on the both sides, is presented to control the low frequency noise. Since the stiffness of membrane dominates its acoustic properties, sound transmission band-gap of the membrane filter can be tuned by adjusting the voltage applied to the membrane. The impedance tube experiments have been carried out to measure the sound transmission loss (STL) of the filters with different electrodes, membrane thickness and pre-stretch conditions. The experimental results show that the center frequency of sound transmission band-gap mainly depends on the stress in the dielectric elastomer, and a large band-gap shift (more than 60 Hz) can be achieved by tuning the voltage applied to the 85 mm diameter VHB4910 specimen with pre-stretch {λ }0=3. Based on the experimental results and the assumption that applied electric field is independent of the membrane behavior, 3D finite element analysis has also been conducted to calculate the membrane stress variation. The sound filter proposed herein may provide a promising facility to control low frequency noise source with tonal characteristics.

The strain induced band gap modulation from narrow gap semiconductor to half-metal on Ti{sub 2}CrGe: A first principles study

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

Li, Jia, E-mail: jiali@hebut.edu.cn; Research Institute for Energy Equipment Materials, Hebei University of Technology, Tianjin 300401; Zhang, Zhidong

The Heusler alloy Ti{sub 2}CrGe is a stable L2{sub 1} phase with antiferromagnetic ordering. With band-gap energy (∼ 0.18 eV) obtained from a first-principles calculation, it belongs to the group of narrow band gap semiconductor. The band-gap energy decreases with increasing lattice compression and disappears until a strain of −5%; moreover, gap contraction only occurs in the spin-down states, leading to half-metallic character at the −5% strain. The Ti{sub 1}, Ti{sub 2}, and Cr moments all exhibit linear changes in behavior within strains of −5%– +5%. Nevertheless, the total zero moment is robust for these strains. The imaginary part ofmore » the dielectric function for both up and down spin states shows a clear onset energy, indicating a corresponding electronic gap for the two spin channels.« less

Band-engineering of TiO2 as a wide-band gap semiconductor using organic chromophore dyes

NASA Astrophysics Data System (ADS)

Wahyuningsih, S.; Kartini, I.; Ramelan, A. H.; Saputri, L. N. M. Z.; Munawaroh, H.

2017-07-01

Bond-engineering as applied to semiconductor materials refers to the manipulation of the energy bands in order to control charge transfer processes in a device. When the device in question is a photoelectrochemical cell, the charges affected by drift become the focus of the study. The ideal band gap of semiconductors for enhancement of photocatalyst activity can be lowered to match with visible light absorption and the location of conduction Band (CB) should be raised to meet the reducing capacity. Otherwise, by the addition of the chromofor organic dyes, the wide-band gab can be influences by interacation resulting between TiO2 surface and the dyes. We have done the impruvisation wide-band gap of TiO2 by the addition of organic chromophore dye, and the addition of transition metal dopand. The TiO2 morphology influence the light absorption as well as the surface modification. The organic chromophore dye was syntesized by formation complexes compound of Co(PAR)(SiPA)(PAR)= 4-(2-piridylazoresorcinol), SiPA = Silyl propil amine). The result showed that the chromophore groups adsorbed onto TiO2 surface can increase the visible light absorption of wide-band gab semiconductor. Initial absorption of a chromophore will affect light penetration into the material surfaces. The use of photonic material as a solar cell shows this phenomenon clearly from the IPCE (incident photon to current conversion efficiency) measurement data. Organic chromophore dyes of Co(PAR)(SiPA) exhibited the long wavelength absorption character compared to the N719 dye (from Dyesol).

Ultrawide low frequency band gap of phononic crystal in nacreous composite material

NASA Astrophysics Data System (ADS)

Yin, J.; Huang, J.; Zhang, S.; Zhang, H. W.; Chen, B. S.

2014-06-01

The band structure of a nacreous composite material is studied by two proposed models, where an ultrawide low frequency band gap is observed. The first model (tension-shear chain model) with two phases including brick and mortar is investigated to describe the wave propagation in the nacreous composite material, and the dispersion relation is calculated by transfer matrix method and Bloch theorem. The results show that the frequency ranges of the pass bands are quite narrow, because a special tension-shear chain motion in the nacreous composite material is formed by some very slow modes. Furthermore, the second model (two-dimensional finite element model) is presented to investigate its band gap by a multi-level substructure scheme. Our findings will be of great value to the design and synthesis of vibration isolation materials in a wide and low frequency range. Finally, the transmission characteristics are calculated to verify the results.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, Alfred W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelarating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, A.W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelerating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome. 4 figs.

Resonantly enhanced multiple exciton generation through below-band-gap multi-photon absorption in perovskite nanocrystals.

PubMed

Manzi, Aurora; Tong, Yu; Feucht, Julius; Yao, En-Ping; Polavarapu, Lakshminarayana; Urban, Alexander S; Feldmann, Jochen

2018-04-17

Multi-photon absorption and multiple exciton generation represent two separate strategies for enhancing the conversion efficiency of light into usable electric power. Targeting below-band-gap and above-band-gap energies, respectively, to date these processes have only been demonstrated independently. Here we report the combined interaction of both nonlinear processes in CsPbBr 3 perovskite nanocrystals. We demonstrate nonlinear absorption over a wide range of below-band-gap excitation energies (0.5-0.8 E g ). Interestingly, we discover high-order absorption processes, deviating from the typical two-photon absorption, at specific energetic positions. These energies are associated with a strong enhancement of the photoluminescence intensity by up to 10 5 . The analysis of the corresponding energy levels reveals that the observed phenomena can be ascribed to the resonant creation of multiple excitons via the absorption of multiple below-band-gap photons. This effect may open new pathways for the efficient conversion of optical energy, potentially also in other semiconducting materials.

Bipolar doping and band-gap anomalies in delafossite transparent conductive oxides.

PubMed

Nie, Xiliang; Wei, Su-Huai; Zhang, S B

2002-02-11

Doping wide-gap materials p type is highly desirable but often difficult. This makes the recent discovery of p-type delafossite oxides, CuM(III)O2, very attractive. The CuM(III)O2 also show unique and unexplained physical properties: Increasing band gap from M(III) = Al,Ga, to In, not seen in conventional semiconductors. The largest gap CuInO2 can be mysteriously doped both n and p type but not the smaller gaps CuAlO2 and CuGaO2. Here, we show that both properties are results of a large disparity between the fundamental gap and the apparent optical gap, a finding that could lead to a breakthrough in the study of bipolarly dopable wide-gap semiconductor oxides.

Vibration band gaps for elastic metamaterial rods using wave finite element method

NASA Astrophysics Data System (ADS)

Nobrega, E. D.; Gautier, F.; Pelat, A.; Dos Santos, J. M. C.

2016-10-01

Band gaps in elastic metamaterial rods with spatial periodic distribution and periodically attached local resonators are investigated. New techniques to analyze metamaterial systems are using a combination of analytical or numerical method with wave propagation. One of them, called here wave spectral element method (WSEM), consists of combining the spectral element method (SEM) with Floquet-Bloch's theorem. A modern methodology called wave finite element method (WFEM), developed to calculate dynamic behavior in periodic acoustic and structural systems, utilizes a similar approach where SEM is substituted by the conventional finite element method (FEM). In this paper, it is proposed to use WFEM to calculate band gaps in elastic metamaterial rods with spatial periodic distribution and periodically attached local resonators of multi-degree-of-freedom (M-DOF). Simulated examples with band gaps generated by Bragg scattering and local resonators are calculated by WFEM and verified with WSEM, which is used as a reference method. Results are presented in the form of attenuation constant, vibration transmittance and frequency response function (FRF). For all cases, WFEM and WSEM results are in agreement, provided that the number of elements used in WFEM is sufficient to convergence. An experimental test was conducted with a real elastic metamaterial rod, manufactured with plastic in a 3D printer, without local resonance-type effect. The experimental results for the metamaterial rod with band gaps generated by Bragg scattering are compared with the simulated ones. Both numerical methods (WSEM and WFEM) can localize the band gap position and width very close to the experimental results. A hybrid approach combining WFEM with the commercial finite element software ANSYS is proposed to model complex metamaterial systems. Two examples illustrating its efficiency and accuracy to model an elastic metamaterial rod unit-cell using 1D simple rod element and 3D solid element are

Modification of band gaps and optoelectronic properties of binary calcium chalcogenides by means of doping of magnesium atom(s) in rock-salt phase- a first principle based theoretical initiative

NASA Astrophysics Data System (ADS)

Debnath, Bimal; Sarkar, Utpal; Debbarma, Manish; Bhattacharjee, Rahul; Chattopadhyaya, Surya

2018-02-01

The band gaps and optoelectronic properties of binary calcium chalcogenide semiconductors have been modified theoretically by doping magnesium atom(s) into their respective rock-salt unit cells at some specific concentrations x = 0.0, 0.25, 0.50, 0.75 and 1.0 and confirmed such modifications by studying their structural, electronic and optical properties using DFT based FP-LAPW approach. The WC-GGA functional is used to calculate structural properties, while mBJ, B3LYP and WC-GGA are used for calculating electronic and optical properties. The concentration dependences of lattice parameter, bulk modulus and fundamental band gap for each alloy system exhibit nonlinearity. The atomic and orbital origin of different electronic states in the band structure of each compound are explored from its density of states (DOS). The microscopic origin of band gap bowing for each of the alloy systems is explored in terms of volume deformation, charge exchange and structural relaxation. The chemical bonds between the constituent atoms in each compound are found as ionic in nature. Optical properties of each specimen are calculated from its computed spectra of dielectric function, refractive index, extinction coefficient, normal incidence reflectivity, optical conductivity, optical absorption and energy loss function. Several calculated results have been compared with available experimental and other theoretical data.

Observations of Multi-band Structures in Double Star TC-1 PEACE Electron and HIA Ion Data

NASA Astrophysics Data System (ADS)

Mohan Narasimhan, K.; Fazakerley, A. N.; Grimald, S.; Dandouras, I. S.; Mihaljcic, B.; Kistler, L. M.; Owen, C. J.

2015-12-01

Several authors have reported inner magnetosphere observations of proton distributions confined to narrow energy bands in the range 1 - 25 keV (Smith and Hoffman (1974), etc). These structures have been described as "nose structures", with reference to their appearance in energy-time spectrograms and are also known as "bands" if they occur for extended periods of time. Multi-nose structures have been observed if 2 or more noses appear at the same time (Vallat et al., 2007). Gaps between "noses" (or "bands") have been explained in terms of the competing corotation, convection and magnetic gradient drifts. Charge exchange losses in slow drift paths for steady state scenarios and the role of substorm injections have also been considered (Li et al., 2000; Ebihara et al., 2004). We analyse observations of electron and ion multi-band structures frequently seen in Double-Star TC1 PEACE and HIA data. We present results from statistical surveys conducted using data from the duration of the mission. Furthermore, using a combination of both statistics and simulations, we test previous theories as to possible formation mechanisms and explore other possible explanations.

Substitution of Li for Cu in Cu2ZnSnS4: Toward Wide Band Gap Absorbers with Low Cation Disorder for Thin Film Solar Cells.

PubMed

Lafond, A; Guillot-Deudon, C; Vidal, J; Paris, M; La, C; Jobic, S

2017-03-06

The substitution of lithium for copper in Cu 2 ZnSnS 4 (CZTS) has been experimentally and theoretically investigated. Formally, the (Cu 1-x Li x )ZnSnS 4 system exhibits two well-defined solid solutions. Indeed, single crystal structural analyses demonstrate that the low (x < 0.4) and high (x > 0.6) lithium-content compounds adopt the kesterite structure and the wurtz-kesterite structure, respectively. For x between 0.4 and 0.6, the two aforementioned structure types coexist. Moreover, 119 Sn NMR analyses carried out on a (Cu 0.7 Li 0.3 ) 2 ZnSnS 4 sample clearly indicate that lithium replaces copper preferentially on two of the three available 2-fold crystallographic sites commonly occupied by Cu and Zn in disordered kesterite. Furthermore, the observed individual lines in the NMR spectrum suggest that the propensity of Cu and Zn atoms to be randomly distributed over the 2c and 2d crystallographic sites is lowered when lithium is partially substituted for copper. Additionally, the first-principles calculations provide insights into the arrangement of Li atoms as a function of the Cu/Zn disorder and its effect on the structural (lattice parameters) and optical properties of CZTS (band gap evolution). Those calculations agree with the experimental observations and account for the evolutions of the unit cell parameters as well as for the increase of band gap when the Li-content increases. The calculation of the formation enthalpy of point defect unambiguously indicates that Li modifies the Cu/Zn disorder in a manner similar to the change of Cu/Zn disorder induced by Ag alloying. Overall, it was found that Li alloying is a versatile way of tuning the optoelectronic properties of CZTS making it a good candidate as wide band gap materials for the top cells of tandem solar cells.

Thermophotovoltaic conversion using selective infrared line emitters and large band gap photovoltaic devices

DOEpatents

Brandhorst, Jr., Henry W.; Chen, Zheng

2000-01-01

Efficient thermophotovoltaic conversion can be performed using photovoltaic devices with a band gap in the 0.75-1.4 electron volt range, and selective infrared emitters chosen from among the rare earth oxides which are thermally stimulated to emit infrared radiation whose energy very largely corresponds to the aforementioned band gap. It is possible to use thermovoltaic devices operating at relatively high temperatures, up to about 300.degree. C., without seriously impairing the efficiency of energy conversion.

Development of High Power Vacuum Tubes for Accelerators and Plasma Heating

NASA Astrophysics Data System (ADS)

Srivastava, Vishnu

2012-11-01

High pulsed power magnetrons and klystrons for medical and industrial accelerators, and high CW power klystrons and gyrotrons for plasma heating in tokamak, are being developed at CEERI. S-band 2.0MW pulsed tunable magnetrons of centre frequency 2856MHz and 2998 MHz were developed, and S-band 2.6MW pulsed tunable magnetron is being developed for medical LINAC, and 3MW pulsed tunable magnetron is being developed for industrial accelerator. S-band (2856MHz), 5MW pulsed klystron was developed for particle accelerator, and S-band 6MW pulsed klystron is under development for 10MeV industrial accelerator. 350MHz, 100kW (CW) klystron is being developed for proton accelerator, and C-band 250kW (CW) klystron is being developed for plasma heating. 42GHz, 200kW (CW/Long pulse) gyrotron is under development for plasma heating. Plasma filled tubes are also being developed for switching. 25kV/1kA and 40kV/3kA thyratrons were developed for high voltage high current switching in pulse modulators for magnetrons and klystrons. 25kV/3kA Pseudospark switch of current rise time of 1kA/|a-sec and pulse repetition rate of 500Hz is being developed. Plasma assisted high power microwave device is also being investigated.

Multi-band gap and new solar cell options workshop

NASA Technical Reports Server (NTRS)

Hutchby, J.; Timmons, M.; Olson, J. M.

1993-01-01

Discussions of the multi-band gap (MBG) and new solar cell options workshop are presented. Topics discussed include: greater than 2 terminal cells; radiation damage preventing development of MBG cells for space; lattice matching; measurement of true performance; future of II-VI materials in MBG devices; and quaternaries.

Manipulating sonic band gaps at will: vibrational density of states in three-dimensional acoustic metamaterial composites

NASA Astrophysics Data System (ADS)

Terao, Takamichi

2018-04-01

Vibrational properties of elastic composites containing a mass-in-mass microstructure embedded in a solid matrix are numerically studied. Using a lattice model, we investigate the vibrational density of states in three-dimensional composite structures where resonant particles are randomly dispersed. By dispersing such particles in the system, a sonic band gap appears. It is confirmed that this band gap can be introduced in a desired frequency regime by changing the parameters of resonant particles and the frequency width of this band gap can be controlled by varying the concentration of the resonant particles to be dispersed. In addition, multiple sonic band gaps can be realized using different species of resonant particles. These results enable us to suggest an alternative method to fabricate devices that can inhibit the propagation of elastic waves with specific frequencies using acoustic metamaterials.

FPGA-based Klystron linearization implementations in scope of ILC

DOE PAGES

Omet, M.; Michizono, S.; Matsumoto, T.; ...

2015-01-23

We report the development and implementation of four FPGA-based predistortion-type klystron linearization algorithms. Klystron linearization is essential for the realization of ILC, since it is required to operate the klystrons 7% in power below their saturation. The work presented was performed in international collaborations at the Fermi National Accelerator Laboratory (FNAL), USA and the Deutsches Elektronen Synchrotron (DESY), Germany. With the newly developed algorithms, the generation of correction factors on the FPGA was improved compared to past algorithms, avoiding quantization and decreasing memory requirements. At FNAL, three algorithms were tested at the Advanced Superconducting Test Accelerator (ASTA), demonstrating a successfulmore » implementation for one algorithm and a proof of principle for two algorithms. Furthermore, the functionality of the algorithm implemented at DESY was demonstrated successfully in a simulation.« less

Finite element method analysis of band gap and transmission of two-dimensional metallic photonic crystals at terahertz frequencies.

PubMed

Degirmenci, Elif; Landais, Pascal

2013-10-20

Photonic band gap and transmission characteristics of 2D metallic photonic crystals at THz frequencies have been investigated using finite element method (FEM). Photonic crystals composed of metallic rods in air, in square and triangular lattice arrangements, are considered for transverse electric and transverse magnetic polarizations. The modes and band gap characteristics of metallic photonic crystal structure are investigated by solving the eigenvalue problem over a unit cell of the lattice using periodic boundary conditions. A photonic band gap diagram of dielectric photonic crystal in square lattice array is also considered and compared with well-known plane wave expansion results verifying our FEM approach. The photonic band gap designs for both dielectric and metallic photonic crystals are consistent with previous studies obtained by different methods. Perfect match is obtained between photonic band gap diagrams and transmission spectra of corresponding lattice structure.

Temperature effects on the band gaps of Lamb waves in a one-dimensional phononic-crystal plate (L).

PubMed

Cheng, Y; Liu, X J; Wu, D J

2011-03-01

This study investigates the temperature-tuned band gaps of Lamb waves in a one-dimensional phononic-crystal plate, which is formed by alternating strips of ferroelectric ceramic Ba(0.7)Sr(0.3)TiO(3) and epoxy. The sensitive and continuous temperature-tunability of Lamb wave band gaps is demonstrated using the analyses of the band structures and the transmission spectra. The width and position of Lamb wave band gaps shift prominently with variation of temperature in the range of 26 °C-50 °C. For example, the width of the second band gap increases from 0.066 to 0.111 MHz as the temperature is increased from 26 °C to 50 °C. The strong shift promises that the structure could be suitable for temperature-tuned multi-frequency Lamb wave filters. © 2011 Acoustical Society of America

Photonic-band-gap gyrotron amplifier with picosecond pulses.

PubMed

Nanni, Emilio A; Jawla, Sudheer; Lewis, Samantha M; Shapiro, Michael A; Temkin, Richard J

2017-12-04

We report the amplification of 250 GHz pulses as short as 260 ps without observation of pulse broadening using a photonic-band-gap circuit gyrotron traveling-wave-amplifier. The gyrotron amplifier operates with a device gain of 38 dB and an instantaneous bandwidth of 8 GHz. The operational bandwidth of the amplifier can be tuned over 16 GHz by adjusting the operating voltage of the electron beam and the magnetic field. The amplifier uses a 30 cm long photonic-band-gap interaction circuit to confine the desired TE 03 -like operating mode while suppressing lower order modes which can result in undesired oscillations. The circuit gain is >55 dB for a beam voltage of 23 kV and a current of 700 mA. These results demonstrate the wide bandwidths and a high gain achievable with gyrotron amplifiers. The amplification of picosecond pulses of variable lengths, 260-800 ps, shows good agreement with the theory using the coupled dispersion relation and the gain-spectrum of the amplifier as measured with quasi-CW input pulses.

Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study

NASA Astrophysics Data System (ADS)

Shi, H.-L.; Duan, Y.

2008-12-01

Using a first-principles band-structure method and a special quasirandom structure (SQS) approach, we systematically calculate the band gap bowing parameters and p-type doping properties of (Zn, Mg, Be)O related random ternary and quaternary alloys. We show that the bowing parameters for ZnBeO and MgBeO alloys are large and dependent on composition. This is due to the size difference and chemical mismatch between Be and Zn(Mg) atoms. We also demonstrate that adding a small amount of Be into MgO reduces the band gap indicating that the bowing parameter is larger than the band-gap difference. We select an ideal N atom with lower p atomic energy level as dopant to perform p-type doping of ZnBeO and ZnMgBeO alloys. For N doped in ZnBeO alloy, we show that the acceptor transition energies become shallower as the number of the nearest neighbor Be atoms increases. This is thought to be because of the reduction of p- d repulsion. The NO acceptor transition energies are deep in the ZnMgBeO quaternary alloy lattice-matched to GaN substrate due to the lower valence band maximum. These decrease slightly as there are more nearest neighbor Mg atoms surrounding the N dopant. The important natural valence band alignment between ZnO, MgO, BeO, ZnBeO, and ZnMgBeO quaternary alloy is also investigated.

Design of ultra compact polarization splitter based on complete photonic band gap

NASA Astrophysics Data System (ADS)

Sinha, R. K.; Nagpal, Yogita

2005-11-01

Certain select structures in photonic crystals (PhCs) exhibit complete photonic band gap i.e. a frequency region where the photonic band gaps for both polarizations (i.e. transverse electric and transverse magnetic modes) exist and overlap. One of the most fundamental applications of the photonic band gap structures is the design of photonic crystal waveguides, which can be made by inserting linear defects in the photonic crystal structures. By setting closely two parallel 2D PhC waveguides, a directional waveguide coupler can be designed, which can be used to design a polarization splitter. In this paper we design a polarization splitter in a photonic crystal structure composed of two dimensional honeycomb pattern of dielectric rods in air. This photonic crystal structure exhibits a complete photonic band gap that extends from λ = 1.49 μm to λ = 1.61 μm, where lambda is the wavelength in free space, providing a large bandwidth of 120 nm. A polarization splitter can be made by designing a polarization selective coupler. The coupling lengths at various wavelengths for both polarizations have been calculated using the Finite Difference Time Domain method. It has been shown that the coupling length, for TE polarization is much smaller as compared to that for the TM polarization. This principle is used to design a polarization splitter of length 32 μm at λ = 1.55 μm. Further, the spectral response of the extinction ratios for both polarizations in the two waveguides at propagation distance of 32 μm has been studied.

Giant topological nontrivial band gaps in chloridized gallium bismuthide.

PubMed

Li, Linyang; Zhang, Xiaoming; Chen, Xin; Zhao, Mingwen

2015-02-11

Quantum spin Hall (QSH) effect is promising for achieving dissipationless transport devices but presently is achieved only at extremely low temperature. Searching for the large-gap QSH insulators with strong spin-orbit coupling (SOC) is the key to increase the operating temperature. We demonstrate theoretically that this can be solved in the chloridized gallium bismuthide (GaBiCl2) monolayer, which has nontrivial gaps of 0.95 eV at the Γ point, and 0.65 eV for bulk, as well as gapless edge states in the nanoribbon structures. The nontrivial gaps due to the band inversion and SOC are robust against external strain. The realization of the GaBiCl2 monolayer will be beneficial for achieving QSH effect and related applications at high temperatures.

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).

Band gap narrowing in BaTiO{sub 3} nanoparticles facilitated by multiple mechanisms

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

Ramakanth, S.; James Raju, K. C., E-mail: kcjrsp@uohyd.ernet.in; School of Physics, University of Hyderabad, Hyderabad 500046

2014-05-07

In the present work, BaTiO{sub 3} nanoparticles of four different size ranges were prepared by sol-gel method. The optical band gap of these particles at some size ranges has come down to 2.53 eV from 3.2 eV, resulting in substantial increase in optical absorption by these ferroelectric nanoparticles making them potential candidates for light energy harvesting. XRD results show the presence of higher compressive strain in 23 nm and 54 nm size particles, they exhibit a higher band gap narrowing, whereas tensile strain is observed in 31 nm and 34 nm particles, and they do not show the marginal band gap narrowing. The 23 nm and 54 nmmore » particles also show a coupling of free carriers to phonons by increasing the intensity of LO phonon mode at 715 cm{sup −1}. The higher surface charge density is expected in case of enhanced surface optical Raman modes (638 cm{sup −1}) contained in 31 and 34 nm size particles. In addition to this, the red shift in an LO mode Raman spectral line at 305 cm{sup −1} with decrease in particle size depicts the presence of phonon confinement in it. The enhanced optical absorption in 23 nm and 54 nm size particles with a narrowed band gap of 3 eV and 2.53 eV is due to exchange correlation interactions between the carriers present in these particles. In 31 nm and 34 nm range particles, the absorption got bleached exhibiting increased band gaps of 3.08 eV and 3.2 eV, respectively. It is due to filling up of conduction band resulting from weakening of exchange correlation interactions between the charge carriers. Hence, it is concluded that the band gap narrowing in the nanoparticles of average size 23 nm/54 nm is a consequence of multiple effects like strain, electron-phonon interaction, and exchange correlation interactions between the carriers which is subdued in some other size ranges like 31 nm/34 nm.« less

Intra-band gap in Lamb modes propagating in a periodic solid structure

NASA Astrophysics Data System (ADS)

Pierre, J.; Rénier, M.; Bonello, B.; Hladky-Hennion, A.-C.

2012-05-01

A laser ultrasonic technique is used to measure the dispersion of Lamb waves at a few MHz, propagating in phononic crystals made of dissymmetric air inclusions drilled throughout silicon plates. It is shown that the specific shape of the inclusions is at the origin of the intra-band gap that opens within the second Brillouin zone, at the crossing of both flexural and dilatational zero-order modes. The magnitude of the intra-band gap is measured as a function of the dissymmetry rate of the inclusions. Experimental data and the computed dispersion curves are in very good agreement.

P and n-type microcrystalline semiconductor alloy material including band gap widening elements, devices utilizing same

DOEpatents

Guha, Subhendu; Ovshinsky, Stanford R.

1988-10-04

An n-type microcrystalline semiconductor alloy material including a band gap widening element; a method of fabricating p-type microcrystalline semiconductor alloy material including a band gap widening element; and electronic and photovoltaic devices incorporating said n-type and p-type materials.

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.

The band gap properties of the three-component semi-infinite plate-like LRPC by using PWE/FE method

NASA Astrophysics Data System (ADS)

Qian, Denghui; Wang, Jianchun

2018-06-01

This paper applies coupled plane wave expansion and finite element (PWE/FE) method to calculate the band structure of the proposed three-component semi-infinite plate-like locally resonant phononic crystal (LRPC). In order to verify the accuracy of the result, the band structure calculated by PWE/FE method is compared to that calculated by the traditional finite element (FE) method, and the frequency range of the band gap in the band structure is compared to that of the attenuation in the transmission power spectrum. Numerical results and further analysis demonstrate that a band gap is opened by the coupling between the dominant vibrations of the rubber layer and the matrix modes. In addition, the influences of the geometry parameters on the band gap are studied and understood with the help of the simple “base-spring-mass” model, the influence of the viscidity of rubber layer on the band gap is also investigated.

Viscoelastic effect on acoustic band gaps in polymer-fluid composites

NASA Astrophysics Data System (ADS)

Merheb, B.; Deymier, P. A.; Muralidharan, K.; Bucay, J.; Jain, M.; Aloshyna-Lesuffleur, M.; Greger, R. W.; Mohanty, S.; Berker, A.

2009-10-01

In this paper, we present a theoretical analysis of the propagation of acoustic waves through elastic and viscoelastic two-dimensional phononic crystal structures. Numerical calculations of transmission spectra are conducted by extending the finite-difference-time-domain method to account for linear viscoelastic materials with time-dependent moduli. We study a phononic crystal constituted of a square array of cylindrical air inclusions in a solid viscoelastic matrix. The elastic properties of the solid are those of a silicone rubber. This system exhibits very wide band gaps in its transmission spectrum that extend to frequencies in the audible range of the spectrum. These gaps are characteristic of fluid matrix/air inclusion systems and result from the very large contrast between the longitudinal and transverse speeds of sound in rubber. By treating the matrix as a viscoelastic medium within the standard linear solid (SLS) model, we demonstrate that viscoelasticity impacts the transmission properties of the rubber/air phononic crystal not only by attenuating the transmitted acoustic waves but also by shifting the passing bands frequencies toward lower values. The ranges of frequencies exhibiting attenuation or frequency shift are determined by the value of the relaxation time in the SLS model. We show that viscoelasticity can be used to decrease the frequency of pass bands (and consequently stop bands) in viscoelastic/air phononic crystals.

ZnO-based semiconductors with tunable band gap for solar sell applications

NASA Astrophysics Data System (ADS)

Itagaki, N.; Matsushima, K.; Yamashita, D.; Seo, H.; Koga, K.; Shiratani, M.

2014-03-01

In this study, we discuss the potential advantages of a new ZnO-based semiconductor, ZnInON (ZION), for application in multi quantum-well (MQW) photovoltaics. ZION is a pseudo-binary alloy of ZnO and InN, which has direct and tunable band gaps over the entire visible spectrum. It was found from simulation results that owing to the large piezoelectric constant, the spatial overlap of the electron and hole wave functions in the QWs is significantly small on the order of 10-2, where the strong piezoelectric field enhances the separation of photo generated carriers. As a result, ZION QWs have low carrier recombination rate of 1014-1018 cm-3s-1, which is much lower than that in conventional QWs such as InGaAs/GaAs QW (1019 cm-3s-1) and InGaN/GaN QW (1018-1018 cm-3s-1). The long carrier life time in ZION QWs (˜1μs) should enable the extraction of photo-generated carriers from well layers before the recombination, and thus increase Voc and Jsc. These simulation results are consistent with our experimental data showing that both Voc and Jsc of a p-i-n solar cell with strained ZION MQWs and thus the efficiency were increased by the superimposition of laser light with lower photon energy than the band gap energy of the QWs. Since the laser light contributed not to carrier generation but to the carrier extraction from the QWs, and no increase in Voc and Jsc was observed for relaxed ZION MQWs, the improvement in the efficiency was attributed to the long carrier lifetime in the strained ZION QWs.

Optical absorption spectra and energy band gap in manganese containing sodium zinc phosphate glasses

NASA Astrophysics Data System (ADS)

Sardarpasha, K. R.; Hanumantharaju, N.; Gowda, V. C. Veeranna

2018-05-01

Optical band gap energy in the system 25Na2O-(75-x)[0.6P2O5-0.4ZnO]-xMnO2 (where x = 0.5,1,5,10 and 20 mol.%) have been studied. The intensity of the absorption band found to increase with increase of MnO2 content. The decrease in the optical band gap energy with increase in MnO2 content in the investigated glasses is attributed to shifting of absorption edge to a longer wavelength region. The obtained results were discussed in view of the structure of phosphate glass network.

Crystallographic and optical properties and band diagrams of CuGaS2 and CuGa5S8 phases in Cu-poor Cu2S-Ga2S3 pseudo-binary system

NASA Astrophysics Data System (ADS)

Maeda, Tsuyoshi; Yu, Ying; Chen, Qing; Ueda, Kenta; Wada, Takahiro

2017-04-01

We synthesized Cu-poor Cu-Ga-S samples such, as CuGaS2 and CuGa5S8 with the composition of (1 - x)Cu2S-(x)Ga2S3 with 0.5 ≤ x ≤ 1.0, by a mechanochemical process and sequential heating. The crystal structure changes from tetragonal chalcopyrite-type CuGaS2 (0.5 ≤ x ≤ 0.55) to tetragonal stannite-type CuGa5S8 (x = 0.8). For samples with 0.60 ≤ x ≤ 0.75, the diffraction peaks were identified to be those of a mixed phase of the chalcopyrite- and stannite-type structures. The band-gap energies of Cu-poor Cu-Ga-S samples increase in a stepwise manner with increasing x. The band-gap energy of CuGa5S8 (x = 0.8) with the tetragonal stannite-type structure is approximately 2.66 eV, which is wider than that of chalcopyrite-type CuGaS2 (2.45 eV). The energy levels of valence band maxima (VBMs) were estimated from the ionization energies measured by photoemission yield spectroscopy (PYS). The energy levels of the VBM and conduction band minimum (CBM) of the Cu-poor Cu-Ga-S samples decrease significantly with increasing x (decreasing Cu/Ga ratio). The energy level of the VBM of CuGaS2 (-5.8 eV) is considerably deeper than those of CuInSe2 (-5.2 eV) and CuInS2 (-5.5 eV). The VBM of stannite-type CuGa5S8 with x = 0.8 (-6.4 eV) is much deeper than that of chalcopyrite-type CuGaS2 (-5.8 eV) and stannite-type CuIn3Se5 (-5.6 eV). In order to understand the band structures of chalcopyrite-type CuGaS2 and stannite-type CuGa5S8, we performed first-principles calculations using the Heyd-Scuseria-Ernzerhof (HSE06), nonlocal screened hybrid density functional method. The theoretical band-gap energy of stannite-type CuGa5S8 (2.2 eV) is wider than that of chalcopyrite-type CuGaS2 (2.0 eV). Both the theoretical and experimental band gaps of stannite-type CuGa5S8 are about 0.2 eV wider than those of chalcopyrite-type CuGaS2.

Bandgap Engineering of Lead-Free Double Perovskite Cs2 AgBiBr6 through Trivalent Metal Alloying.

PubMed

Du, Ke-Zhao; Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa; Mitzi, David B

2017-07-03

The double perovskite family, A 2 M I M III X 6 , is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH 3 NH 3 PbI 3 . Given the generally large indirect band gap within most known double perovskites, band-gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs 2 AgBiBr 6 as host, band-gap engineering through alloying of In III /Sb III has been demonstrated in the current work. Cs 2 Ag(Bi 1-x M x )Br 6 (M=In, Sb) accommodates up to 75 % In III with increased band gap, and up to 37.5 % Sb III with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs 2 Ag(Bi 0.625 Sb 0.375 )Br 6 . Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three-metal systems are also assessed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Wave propagation in ordered, disordered, and nonlinear photonic band gap materials

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

Lidorikis, Elefterios

Photonic band gap materials are artificial dielectric structures that give the promise of molding and controlling the flow of optical light the same way semiconductors mold and control the electric current flow. In this dissertation the author studied two areas of photonic band gap materials. The first area is focused on the properties of one-dimensional PBG materials doped with Kerr-type nonlinear material, while, the second area is focused on the mechanisms responsible for the gap formation as well as other properties of two-dimensional PBG materials. He first studied, in Chapter 2, the general adequacy of an approximate structure model inmore » which the nonlinearity is assumed to be concentrated in equally-spaced very thin layers, or 6-functions, while the rest of the space is linear. This model had been used before, but its range of validity and the physical reasons for its limitations were not quite clear yet. He performed an extensive examination of many aspects of the model's nonlinear response and comparison against more realistic models with finite-width nonlinear layers, and found that the d-function model is quite adequate, capturing the essential features in the transmission characteristics. The author found one exception, coming from the deficiency of processing a rigid bottom band edge, i.e. the upper edge of the gaps is always independent of the refraction index contrast. This causes the model to miss-predict that there are no soliton solutions for a positive Kerr-coefficient, something known to be untrue.« less

Omnidirectional photonic band gap enlarged by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure

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

Zhang Haifeng; Nanjing Artillery Academy, Nanjing 211132; Liu Shaobin

2012-11-15

In this paper, an omnidirectional photonic band gap realized by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure, which is composed of homogeneous unmagnetized plasma and two kinds of isotropic dielectric, is theoretically studied by the transfer matrix method. It has been shown that such an omnidirectional photonic band gap originates from Bragg gap in contrast to zero-n gap or single negative (negative permittivity or negative permeability) gap, and it is insensitive to the incidence angle and the polarization of electromagnetic wave. From the numerical results, the frequency range and central frequency of omnidirectional photonicmore » band gap can be tuned by the thickness and density of the plasma but cease to change with increasing Fibonacci order. The bandwidth of omnidirectional photonic band gap can be notably enlarged. Moreover, the plasma collision frequency has no effect on the bandwidth of omnidirectional photonic band gap. It is shown that such new structure Fibonacci quasiperiodic one-dimensional ternary plasma photonic crystals have a superior feature in the enhancement of frequency range of omnidirectional photonic band gap compared with the conventional ternary and conventional Fibonacci quasiperiodic ternary plasma photonic crystals.« less

Optical band gap determination of calcium doped lanthanum manganite nano particle tailored with polypyrrole

NASA Astrophysics Data System (ADS)

Gopalakrishna, Smitha Mysore; Murugendrappa, Malalkere Veerappa

2018-05-01

In this paper we bring forth the effect of La0.7Ca0.3MnO3 (LCM) perovskite nano particle on the optical band gap in composition with conducting Polypyrrole (PPy) prepared by chemical oxidation method. The morphology and crystalline phase were determined by SEM, TEM and X-Ray diffraction studies. The Optical band gap studies were analyzed using the UV-VIS spectrometer scanned in the range 200 nm to 600 nm for pure PPy and PPy/LCM composites. There is a characteristic peak observed for the composites situated around 315 nm for pure PPy, PPy/LCM10 and PPy/LCM50. But for higher compositions of LCM weight percentage like 30%, 40% and 50% the peak shift slightly to higher wavelength side. The peak shifts to 320 nm, 325 nm and 335 nm respectively. The optical band gap increased for Pure PPy, PPy/LCM10 and PPy/LCM20 and found to decrease gradually for PPy/LCM30, PPy/LCM40 and PPy/LCM50. The studies suggest that LCM composition in the PPy chain has a role in modifying the wavelength and in turn its band gap. The study may find application in organic devices working at high frequency and voltage.

Torsional wave band gap properties in a circular plate of a two-dimensional generalized phononic crystal

NASA Astrophysics Data System (ADS)

Zhao, Lei; Shu, Haisheng; Liang, Shanjun; Shi, Xiaona; An, Shuowei; Ren, Wanyue; Zhu, Jie

2018-05-01

The torsional wave band gap properties of a two-dimensional generalized phononic crystal (GPC) are investigated in this paper. The GPC structure considered is consisted of two different materials being arranged with radial and circumferential periodicities simultaneously. Based on the viewpoint of energy distribution and the finite element method, the power flow, energy density, sound intensity vector together with the stress field of the structure excited by torsional load are numerically calculated and discussed. Our results show that, the band gap of Bragg type exists in these two-dimensional composite structures, and the band gap range is mainly determined by radial periodicity while the circumferential periodicity would result in some transmission peaks within the band gap. These peaks are mainly produced by two different mechanisms, the energy leakage occurred in circumferential channels and the excitation of the local eigenmodes of certain scatterers. These results may be useful in torsional vibration control for various rotational parts and components, and in the application of energy harvesting, etc.

Observation of band gaps in the gigahertz range and deaf bands in a hypersonic aluminum nitride phononic crystal slab

NASA Astrophysics Data System (ADS)

Gorisse, M.; Benchabane, S.; Teissier, G.; Billard, C.; Reinhardt, A.; Laude, V.; Defaÿ, E.; Aïd, M.

2011-06-01

We report on the observation of elastic waves propagating in a two-dimensional phononic crystal composed of air holes drilled in an aluminum nitride membrane. The theoretical band structure indicates the existence of an acoustic band gap centered around 800 MHz with a relative bandwidth of 6.5% that is confirmed by gigahertz optical images of the surface displacement. Further electrical measurements and computation of the transmission reveal a much wider attenuation band that is explained by the deaf character of certain bands resulting from the orthogonality of their polarization with that of the source.

Prediction of direct band gap silicon superlattices with dipole-allowed optical transition

NASA Astrophysics Data System (ADS)

Kim, Sunghyun; Oh, Young Jun; Lee, In-Ho; Lee, Jooyoung; Chang, K. J.

While cubic diamond silicon (c-Si) is an important element in electronic devices, it has poor optical properties owing to its indirect gap nature, thereby limiting its applications to optoelectronic devices. Here, we report Si superlattice structures which are computationally designed to possess direct band gaps and excellent optical properties. The computational approach adopts density functional calculations and conformational space annealing for global optimization. The Si superlattices, which consist of alternating stacks of Si(111) layers and a defective layer with Seiwatz chains, have either direct or quasi-direct band gaps depending on the details of attacking layers. The photovoltaic efficiencies are calculated by solving Bethe-Salpeter equation together with quasiparticle G0W0 calculations. The strong direct optical transition is attributed to the overlap of the valence and conduction band edge states in the interface region. Our Si superlattices exhibit high thermal stability, with the energies lower by an order of magnitude than those of the previously reported Si allotropes. We discuss a possible route to the synthesis of the superlattices through wafer bonding. This work is supported by Samsung Science and Technology Foundation under Grant No. SSTF-BA1401-08.

First-principles study of direct and narrow band gap semiconducting β -CuGaO 2

DOE PAGES

Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; ...

2015-04-16

Semiconducting oxides have attracted much attention due to their great stability in air or water and the abundance of oxygen. Recent success in synthesizing a metastable phase of CuGaO 2 with direct narrow band gap opens up new applications of semiconducting oxides as absorber layer for photovoltaics. Using first-principles density functional theory calculations, we investigate the thermodynamic and mechanical stabilities as well as the structural and electronic properties of the β-CuGaO 2 phase. Our calculations show that the β-CuGaO 2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the Γ point ofmore » Brillouin zone. In conclusion, the optical absorption occurs right at the band gap edge and the density of states near the valance band maximum is large, inducing an intense absorption of light as observed in experiment.« less

Enhanced thermoelectric performance in the Rashba semiconductor BiTeI through band gap engineering.

PubMed

Wu, Lihua; Yang, Jiong; Zhang, Tiansong; Wang, Shanyu; Wei, Ping; Zhang, Wenqing; Chen, Lidong; Yang, Jihui

2016-03-02

Rashba semiconductors are of great interest in spintronics, superconducting electronics and thermoelectrics. Bulk BiTeI is a new Rashba system with a giant spin-split band structure. 2D-like thermoelectric response has been found in BiTeI. However, as optimizing the carrier concentration, the bipolar effect occurs at elevated temperature and deteriorates the thermoelectric performance of BiTeI. In this paper, band gap engineering in Rashba semiconductor BiTeI through Br-substitution successfully reduces the bipolar effect and improves the thermoelectric properties. By utilizing the optical absorption and Burstein-Moss-effect analysis, we find that the band gap in Rashba semiconductor BiTeI increases upon bromine substitution, which is consistent with theoretical predictions. Bipolar transport is mitigated due to the larger band gap, as the thermally-activated minority carriers diminish. Consequently, the Seebeck coefficient keeps increasing with a corresponding rise in temperature, and thermoelectric performance can thus be enhanced with a ZT  =  0.5 at 570 K for BiTeI0.88Br0.12.

Optical phonon effect in quasi-one-dimensional semiconductor quantum wires: Band-gap renormalization

NASA Astrophysics Data System (ADS)

Dan, Nguyen Trung; Bechstedt, F.

1996-02-01

We present theoretical studies of dynamical screening in quasi-one-dimensional semiconductor quantum wires including electron-electron and electron-LO-phonon interactions. Within the random-phase approximation we obtain analytical expressions for screened interaction potentials. These expressions can be used to calculate the band-gap renormalization of quantum wires, which depends on the free-carrier density and temperature. We find that the optical phonon interaction effect plays a significant role in band-gap renormalization of quantum wires. The numerical results are compared with some recent experiment measurements as well as available theories.

Final Report: Rational Design of Wide Band Gap Buffer Layers for High-Efficiency Thin-Film Photovoltaics

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

Lordi, Vincenzo

The main objective of this project is to enable rational design of wide band gap buffer layer materials for CIGS thin-film PV by building understanding of the correlation of atomic-scale defects in the buffer layer and at the buffer/absorber interface with device electrical properties. Optimized wide band gap buffers are needed to reduce efficiency loss from parasitic absorption in the buffer. The approach uses first-principles materials simulations coupled with nanoscale analytical electron microscopy as well as device electrical characterization. Materials and devices are produced by an industrial partner in a manufacturing line to maximize relevance, with the goal of enablingmore » R&D of new buffer layer compositions or deposition processes to push device efficiencies above 21%. Cadmium sulfide (CdS) is the reference material for analysis, as the prototypical high-performing buffer material.« less

One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization

NASA Astrophysics Data System (ADS)

Zacharias, Marios; Giustino, Feliciano

2016-08-01

Recently, Zacharias et al. [Phys. Rev. Lett. 115, 177401 (2015), 10.1103/PhysRevLett.115.177401] developed an ab initio theory of temperature-dependent optical absorption spectra and band gaps in semiconductors and insulators. In that work, the zero-point renormalization and the temperature dependence were obtained by sampling the nuclear wave functions using a stochastic approach. In the present work, we show that the stochastic sampling of Zacharias et al. can be replaced by fully deterministic supercell calculations based on a single optimal configuration of the atomic positions. We demonstrate that a single calculation is able to capture the temperature-dependent band-gap renormalization including quantum nuclear effects in direct-gap and indirect-gap semiconductors, as well as phonon-assisted optical absorption in indirect-gap semiconductors. In order to demonstrate this methodology, we calculate from first principles the temperature-dependent optical absorption spectra and the renormalization of direct and indirect band gaps in silicon, diamond, and gallium arsenide, and we obtain good agreement with experiment and with previous calculations. In this work we also establish the formal connection between the Williams-Lax theory of optical transitions and the related theories of indirect absorption by Hall, Bardeen, and Blatt, and of temperature-dependent band structures by Allen and Heine. The present methodology enables systematic ab initio calculations of optical absorption spectra at finite temperature, including both direct and indirect transitions. This feature will be useful for high-throughput calculations of optical properties at finite temperature and for calculating temperature-dependent optical properties using high-level theories such as G W and Bethe-Salpeter approaches.

Increased visible-light photocatalytic activity of TiO2 via band gap manipulation

NASA Astrophysics Data System (ADS)

Pennington, Ashley Marie

Hydrogen gas is a clean burning fuel that has potential applications in stationary and mobile power generation and energy storage, but is commercially produced from non-renewable fossil natural gas. Using renewable biomass as the hydrocarbon feed instead could provide sustainable and carbon-neutral hydrogen. We focus on photocatalytic oxidation and reforming of methanol over modified titanium dioxide (TiO2) nanoparticles to produce hydrogen gas. Methanol is used as a model for biomass sugars. By using a photocatalyst, we aim to circumvent the high energy cost of carrying out endothermic reactions at commercial scale. TiO2 is a semiconductor metal oxide of particular interest in photocatalysis due to its photoactivity under ultraviolet illumination and its stability under catalytic reaction conditions. However, TiO2 primarily absorbs ultraviolet light, with little absorption of visible light. While an effective band gap for absorbance of photons from visible light is 1.7 eV, TiO2 polymorphs rutile and anatase, have band gaps of 3.03 eV and 3.20 eV respectively, which indicate ultraviolet light. As most of incident solar radiation is visible light, we hypothesize that decreasing the band gap of TiO2 will increase the efficiency of TiO2 as a visible-light active photocatalyst. We propose to modify the band gap of TiO2 by manipulating the catalyst structure and composition via metal nanoparticle deposition and heteroatom doping in order to more efficiently utilize solar radiation. Of the metal-modified Degussa P25 TiO2 samples (P25), the copper and nickel modified samples, 1%Cu/P25 and 1%Ni/P25 yielded the lowest band gap of 3.05 eV each. A difference of 0.22 eV from the unmodified P25. Under visible light illumination 1%Ni/P25 and 1%Pt/P25 had the highest conversion of methanol of 9.9% and 9.6%, respectively.

The Role of Work Function and Band Gap in Resistive Switching Behaviour of ZnTe Thin Films

NASA Astrophysics Data System (ADS)

Rowtu, Srinu; Sangani, L. D. Varma; Krishna, M. Ghanashyam

2018-02-01

Resistive switching behavior by engineering the electrode work function and band gap of ZnTe thin films is demonstrated. The device structures Au/ZnTe/Au, Au/ZnTe/Ag, Al/ZnTe/Ag and Pt/ZnTe/Ag were fabricated. ZnTe was deposited by thermal evaporation and the stoichiometry and band gap were controlled by varying the source-substrate distance. Band gap could be varied between 1.0 eV to approximately 4.0 eV with the larger band gap being attributed to the partial oxidation of ZnTe. The transport characteristics reveal that the low-resistance state is ohmic in nature which makes a transition to Poole-Frenkel defect-mediated conductivity in the high-resistance states. The highest R off-to- R on ratio achieved is 109. Interestingly, depending on stoichiometry, both unipolar and bipolar switching can be realized.

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

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

Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.

Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

DOE PAGES

Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.; ...

2017-11-20

Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less

Shuttle Ku-band and S-band communications implementations study

NASA Technical Reports Server (NTRS)

Huth, G. K.; Nessibou, T.; Nilsen, P. W.; Simon, M. K.; Weber, C. L.

1979-01-01

The interfaces between the Ku-band system and the TDRSS, between the S-band system and the TDRSS, GSTDN and SGLS networks, and between the S-band payload communication equipment and the other Orbiter avionic equipment were investigated. The principal activities reported are: (1) performance analysis of the payload narrowband bent-pipe through the Ku-band communication system; (2) performance evaluation of the TDRSS user constraints placed on the S-band and Ku-band communication systems; (3) assessment of the shuttle-unique S-band TDRSS ground station false lock susceptibility; (4) development of procedure to make S-band antenna measurements during orbital flight; (5) development of procedure to make RFI measurements during orbital flight to assess the performance degradation to the TDRSS S-band communication link; and (6) analysis of the payload interface integration problem areas.

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

Graphene-based topological insulator with an intrinsic bulk band gap above room temperature.

PubMed

Kou, Liangzhi; Yan, Binghai; Hu, Feiming; Wu, Shu-Chun; Wehling, Tim O; Felser, Claudia; Chen, Changfeng; Frauenheim, Thomas

2013-01-01

Topological insulators (TIs) represent a new quantum state of matter characterized by robust gapless states inside the insulating bulk gap. The metallic edge states of a two-dimensional (2D) TI, known as the quantum spin Hall (QSH) effect, are immune to backscattering and carry fully spin-polarized dissipationless currents. However, existing 2D TIs realized in HgTe and InAs/GaSb suffer from small bulk gaps (<10 meV) well below room temperature, thus limiting their application in electronic and spintronic devices. Here, we report a new 2D TI comprising a graphene layer sandwiched between two Bi2Se3 slabs that exhibits a large intrinsic bulk band gap of 30-50 meV, making it viable for room-temperature applications. Distinct from previous strategies for enhancing the intrinsic spin-orbit coupling effect of the graphene lattice, the present graphene-based TI operates on a new mechanism of strong inversion between graphene Dirac bands and Bi2Se3 conduction bands. Strain engineering leads to effective control and substantial enhancement of the bulk gap. Recently reported synthesis of smooth graphene/Bi2Se3 interfaces demonstrates the feasibility of experimental realization of this new 2D TI structure, which holds great promise for nanoscale device applications.

Electronic band-gap modified passive silicon optical modulator at telecommunications wavelengths.

PubMed

Zhang, Rui; Yu, Haohai; Zhang, Huaijin; Liu, Xiangdong; Lu, Qingming; Wang, Jiyang

2015-11-13

The silicon optical modulator is considered to be the workhorse of a revolution in communications. In recent years, the capabilities of externally driven active silicon optical modulators have dramatically improved. Self-driven passive modulators, especially passive silicon modulators, possess advantages in compactness, integration, low-cost, etc. Constrained by a large indirect band-gap and sensitivity-related loss, the passive silicon optical modulator is scarce and has been not advancing, especially at telecommunications wavelengths. Here, a passive silicon optical modulator is fabricated by introducing an impurity band in the electronic band-gap, and its nonlinear optics and applications in the telecommunications-wavelength lasers are investigated. The saturable absorption properties at the wavelength of 1.55 μm was measured and indicates that the sample is quite sensitive to light intensity and has negligible absorption loss. With a passive silicon modulator, pulsed lasers were constructed at wavelengths at 1.34 and 1.42 μm. It is concluded that the sensitive self-driven passive silicon optical modulator is a viable candidate for photonics applications out to 2.5 μm.

The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

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

Sutherland, Kevin Jerome

Photonic band gap (PBG) crystals are periodic dielectric structures that manipulate electromagnetic radiation in a manner similar to semiconductor devices manipulating electrons. Whereas a semiconductor material exhibits an electronic band gap in which electrons cannot exist, similarly, a photonic crystal containing a photonic band gap does not allow the propagation of specific frequencies of electromagnetic radiation. This phenomenon results from the destructive Bragg diffraction interference that a wave propagating at a specific frequency will experience because of the periodic change in dielectric permitivity. This gives rise to a variety of optical applications for improving the efficiency and effectiveness of opto-electronicmore » devices. These applications are reviewed later. Several methods are currently used to fabricate photonic crystals, which are also discussed in detail. This research involves a layer-by-layer micro-transfer molding ({mu}TM) and stacking method to create three-dimensional FCC structures of epoxy or titania. The structures, once reduced significantly in size can be infiltrated with an organic gain media and stacked on a semiconductor to improve the efficiency of an electronically pumped light-emitting diode. Photonic band gap structures have been proven to effectively create a band gap for certain frequencies of electro-magnetic radiation in the microwave and near-infrared ranges. The objective of this research project was originally two-fold: to fabricate a three dimensional (3-D) structure of a size scaled to prohibit electromagnetic propagation within the visible wavelength range, and then to characterize that structure using laser dye emission spectra. As a master mold has not yet been developed for the micro transfer molding technique in the visible range, the research was limited to scaling down the length scale as much as possible with the current available technology and characterizing these structures with other methods.« less

Band gap engineering of hydrogenated amorphous carbon thin films for solar cell application

NASA Astrophysics Data System (ADS)

Dwivedi, Neeraj; Kumar, Sushil; Dayal, Saurabh; Rauthan, C. M. S.; Panwar, O. S.; Malik, Hitendra K.

2012-10-01

In this work, self bias variation, nitrogen introduction and oxygen plasma (OP) treatment approaches have been used for tailoring the band gap of hydrogenated amorphous carbon (a-C:H) thin films. The band gap of a-C:H and modified a- C:H films is varied in the range from 1.25 eV to 3.45 eV, which is found to be nearly equal to the full solar spectrum (1 eV- 3.5 eV). Hence, such a-C:H and modified a-C:H films are found to be potential candidate for the development of full spectrum solar cells. Besides this, computer aided simulation with considering variable band gap a-C:H and modified a- C:H films as window layer for amorphous silicon p-i-n solar cells is also performed by AFORS-HET software and maximum efficiency as ~14 % is realized. Since a-C:H is hard material, hence a-C:H and modified a-C:H films as window layer may avoid the use of additional hard and protective coating particularly in n-i-p configuration.

Analogy of transistor function with modulating photonic band gap in electromagnetically induced grating

PubMed Central

Wang, Zhiguo; Ullah, Zakir; Gao, Mengqin; Zhang, Dan; Zhang, Yiqi; Gao, Hong; Zhang, Yanpeng

2015-01-01

Optical transistor is a device used to amplify and switch optical signals. Many researchers focus on replacing current computer components with optical equivalents, resulting in an optical digital computer system processing binary data. Electronic transistor is the fundamental building block of modern electronic devices. To replace electronic components with optical ones, an equivalent optical transistor is required. Here we compare the behavior of an optical transistor with the reflection from a photonic band gap structure in an electromagnetically induced transparency medium. A control signal is used to modulate the photonic band gap structure. Power variation of the control signal is used to provide an analogy between the reflection behavior caused by modulating the photonic band gap structure and the shifting of Q-point (Operation point) as well as amplification function of optical transistor. By means of the control signal, the switching function of optical transistor has also been realized. Such experimental schemes could have potential applications in making optical diode and optical transistor used in quantum information processing. PMID:26349444

Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

PubMed

Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

2015-06-18

We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

Analogy of transistor function with modulating photonic band gap in electromagnetically induced grating

NASA Astrophysics Data System (ADS)

Wang, Zhiguo; Ullah, Zakir; Gao, Mengqin; Zhang, Dan; Zhang, Yiqi; Gao, Hong; Zhang, Yanpeng

2015-09-01

Optical transistor is a device used to amplify and switch optical signals. Many researchers focus on replacing current computer components with optical equivalents, resulting in an optical digital computer system processing binary data. Electronic transistor is the fundamental building block of modern electronic devices. To replace electronic components with optical ones, an equivalent optical transistor is required. Here we compare the behavior of an optical transistor with the reflection from a photonic band gap structure in an electromagnetically induced transparency medium. A control signal is used to modulate the photonic band gap structure. Power variation of the control signal is used to provide an analogy between the reflection behavior caused by modulating the photonic band gap structure and the shifting of Q-point (Operation point) as well as amplification function of optical transistor. By means of the control signal, the switching function of optical transistor has also been realized. Such experimental schemes could have potential applications in making optical diode and optical transistor used in quantum information processing.

METHOD FOR STABILIZING KLYSTRONS

DOEpatents

Magnuson, D.W.; Smith, D.F.

1959-04-14

High-frequency oscillators for the generation of microwaves, particularly a system for stabilizing frequency-modulated klystron oscillators of the reflex type, are described. The system takos advantage of the fact that a change in oscillator frequency will alter the normal phase displacement between the cavity and its modulator, creating an error voltage which is utilized to regulate the frequency of the oscillator and stabilize it.

Synthesis of copper quantum dots by chemical reduction method and tailoring of its band gap

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

Prabhash, P. G.; Nair, Swapna S., E-mail: swapna.s.nair@gmail.com

Metallic copper nano particles are synthesized with citric acid and CTAB (cetyltrimethylammonium bromide) as surfactant and chlorides as precursors. The particle size and surface morphology are analyzed by High Resolution Transmission Electron Microscopy. The average size of the nano particle is found to be 3 - 10 nm. The optical absorption characteristics are done by UV-Visible spectrophotometer. From the Tauc plots, the energy band gaps are calculated and because of their smaller size the particles have much higher band gap than the bulk material. The energy band gap is changed from 3.67 eV to 4.27 eV in citric acid coatedmore » copper quantum dots and 4.17 eV to 4.52 eV in CTAB coated copper quantum dots.« less

Effect of ZnO on the Physical Properties and Optical Band Gap of Soda Lime Silicate Glass