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Sample records for absorption band structure

  1. Electronic Band Structure and Sub-band-gap Absorption of Nitrogen Hyperdoped Silicon

    PubMed Central

    Zhu, Zhen; Shao, Hezhu; Dong, Xiao; Li, Ning; Ning, Bo-Yuan; Ning, Xi-Jing; Zhao, Li; Zhuang, Jun

    2015-01-01

    We investigated the atomic geometry, electronic band structure, and optical absorption of nitrogen hyperdoped silicon based on first-principles calculations. The results show that all the paired nitrogen defects we studied do not introduce intermediate band, while most of single nitrogen defects can introduce intermediate band in the gap. Considering the stability of the single defects and the rapid resolidification following the laser melting process in our sample preparation method, we conclude that the substitutional nitrogen defect, whose fraction was tiny and could be neglected before, should have considerable fraction in the hyperdoped silicon and results in the visible sub-band-gap absorption as observed in the experiment. Furthermore, our calculations show that the substitutional nitrogen defect has good stability, which could be one of the reasons why the sub-band-gap absorptance remains almost unchanged after annealing. PMID:26012369

  2. Structural diversity of the 3-micron absorption band in Enceladus’ plume from Cassini VIMS: Insights into subsurface environmental conditions

    NASA Astrophysics Data System (ADS)

    Dhingra, Deepak; Hedman, Matthew M.; Clark, Roger N.

    2015-11-01

    Water ice particles in Enceladus’ plume display their diagnostic 3-micron absorption band in Cassini VIMS data. These near infrared measurements of the plume also exhibit noticeable variations in the character of this band. Mie theory calculations reveal that the shape and location of the 3-micron band are controlled by a number of environmental and structural parameters. Hence, this band provides important insights into the properties of the water ice grains and about the subsurface environmental conditions under which they formed. For example, the position of the 3-micron absorption band minimum can be used to distinguish between crystalline and amorphous forms of water ice and to constrain the formation temperature of the ice grains. VIMS data indicates that the water ice grains in the plume are dominantly crystalline which could indicate formation temperatures above 113 K [e.g. 1, 2]. However, there are slight (but observable) variations in the band minimum position and band shape that may hint at the possibility of varying abundance of amorphous ice particles within the plume. The modeling results further indicate that there are systematic shifts in band minimum position with temperature for any given form of ice but the crystalline and amorphous forms of water ice are still distinguishable at VIMS spectral resolution. Analysis of the eruptions from individual source fissures (tiger stripes) using selected VIMS observations reveal differences in the 3-micron band shape that may reflect differences in the size distributions of the water ice particles along individual fissures. Mie theory models suggest that big ice particles (>3 micron) may be an important component of the plume.[1] Kouchi, A., T. Yamamoto, T. Kozasa, T. Kuroda, and J. M. Greenberg (1994) A&A, 290, 1009-1018 [2] Mastrapa, R. M. E., W. M. Grundy, and M. S. Gudipati (2013) in M. S. Gudipati and J. Castillo-Rogez (Eds.), The Science of Solar System Ices, pp. 371.

  3. First-principles study of the band structure and optical absorption of CuGaS2

    NASA Astrophysics Data System (ADS)

    Aguilera, Irene; Vidal, Julien; Wahnón, Perla; Reining, Lucia; Botti, Silvana

    2011-08-01

    CuGaS2 is the most promising chalcopyrite host for intermediate-band thin-film solar cells. Standard Kohn-Sham density functional theory fails in describing the band structure of chalcopyrite materials, due to the strong underestimation of the band gap and the poor description of p-d hybridization, which makes it inadvisable to use this approach to study the states in the gap induced by doping. We used a state-of-the-art restricted self-consistent GW approach to determine the electronic states of CuGaS2: in the energy range of interest for optical absorption, the GW corrections shift the Kohn-Sham bands almost rigidly, as we proved through analysis of the effective masses, bandwidths, and relative position of the conduction energy valleys. Furthermore, starting from the GW quasiparticle bands, we calculated optical absorption spectra using different approximations. We show that the time-dependent density functional theory can be an efficient alternative to the solution of the Bethe-Salpeter equation when the exchange-correlation kernels derived from the Bethe-Salpeter equation are employed. This conclusion is important for further studies of optical properties of supercells including dopants.

  4. Higher-order mode absorption measurement of X-band choke-mode cavities in a radial line structure

    NASA Astrophysics Data System (ADS)

    Zha, Hao; Shi, Jiaru; Wu, Xiaowei; Chen, Huaibi

    2016-04-01

    An experiment is presented to study the higher-order mode (HOM) suppression of X-band choke-mode structures with a vector network analyzer (VNA). Specific radial line disks were built to test the reflection from the corresponding damping load and different choke geometries. The mismatch between the radial lines and the VNA was calibrated through a special multi-short-load calibration method. The measured reflections of different choke geometries showed good agreement with the theoretical calculations and verified the HOM absorption feature of each geometric design.

  5. Jupiter's atmospheric composition and cloud structure deduced from absorption bands in reflected sunlight

    NASA Technical Reports Server (NTRS)

    Sato, M.; Hansen, J. E.

    1979-01-01

    The spectrum of sunlight reflected by Jupiter is analyzed by comparing observations of Woodman (1979) with multiple-scattering computations. The analysis yields information on the vertical cloud structure at several latitudes and on the abundance of CH4 and NH3 in the atmosphere of Jupiter. The abundances of CH4 and NH3 suggest that all ices and rocks are overabundant on Jupiter by a factor of 2 or more, providing an important constraint on models for the formation of Jupiter from the primitive solar nebula. The pressure level of the clouds, the gaseous NH3 abundance, the mean temperature profile, and the Clausius-Clapeyron relation suggest that these clouds are predominantly ammonia crystals with the cloud bottom at 600-700 mb. A diffuse distribution of aerosols exists between 150 and 500 mb, and the spectral variation of albedo reflects a changing bulk absorption coefficient of the material composing the aerosols and is diagnostic of the aerosol composition.

  6. Band Structure of the Rhodobacter sphaeroides Photosynthetic Reaction Center from Low-Temperature Absorption and Hole-Burned Spectra.

    PubMed

    Rancova, Olga; Jankowiak, Ryszard; Kell, Adam; Jassas, Mahboobe; Abramavicius, Darius

    2016-06-30

    Persistent/transient spectral hole burning (HB) and computer simulations are used to provide new insight into the excitonic structure and excitation energy transfer of the widely studied bacterial reaction center (bRC) of Rhodobacter (Rb.) sphaeroides. We focus on site energies of its cofactors and electrochromic shifts induced in the chemically oxidized (P(+)) and charge-separated (P(+)QM(-)) states. Theoretical models lead to two alternative interpretations of the H-band. On the basis of our experimental and simulation data, we suggest that the bleach near 813-825 nm in transient HB spectra in the P(+)QM(-) state, often assigned to the upper exciton component of the special pair, is mostly due to different electrochromic shifts of the BL/M cofactors. From the exciton compositions in the charge-neutral (CN) bRC, the weak fourth excitonic band near 780 nm can be denoted PY+, that is, the upper excitonic band of the special pair, which in the CN bRC behaves as a delocalized state over PM and PL pigments that weakly mixes with accessory BChls. Thus, the shoulder in the absorption of Rb. sphaeroides near 813-815 nm does not contain the PY+ exciton band. PMID:27266271

  7. Infrared absorption band and vibronic structure of the nitrogen-vacancy center in diamond

    NASA Astrophysics Data System (ADS)

    Kehayias, P.; Doherty, M. W.; English, D.; Fischer, R.; Jarmola, A.; Jensen, K.; Leefer, N.; Hemmer, P.; Manson, N. B.; Budker, D.

    2013-10-01

    Negatively charged nitrogen-vacancy (NV-) color centers in diamond have generated much interest for use in quantum technology. Despite the progress made in developing their applications, many questions about the basic properties of NV- centers remain unresolved. Understanding these properties can validate theoretical models of NV-, improve their use in applications, and support their development into competitive quantum devices. In particular, knowledge of the phonon modes of the 1A1 electronic state is key for understanding the optical pumping process. Using pump-probe spectroscopy, we measured the phonon sideband of the 1E→1A1 electronic transition in the NV- center. From this we calculated the 1E→1A1 one-phonon absorption spectrum and found it to differ from that of the 3E→3A2 transition, a result which is not anticipated by previous group-theoretical models of the NV- electronic states. We identified a high-energy 169-meV localized phonon mode of the 1A1 level.

  8. Atmospheric Solar Heating in Minor Absorption Bands

    NASA Technical Reports Server (NTRS)

    Chou, Ming-Dah

    1998-01-01

    Solar radiation is the primary source of energy driving atmospheric and oceanic circulations. Concerned with the huge computing time required for computing radiative transfer in weather and climate models, solar heating in minor absorption bands has often been neglected. The individual contributions of these minor bands to the atmospheric heating is small, but collectively they are not negligible. The solar heating in minor bands includes the absorption due to water vapor in the photosynthetically active radiation (PAR) spectral region from 14284/cm to 25000/cm, the ozone absorption and Rayleigh scattering in the near infrared, as well as the O2 and CO2 absorption in a number of weak bands. Detailed high spectral- and angular-resolution calculations show that the total effect of these minor absorption is to enhance the atmospheric solar heating by approximately 10%. Depending upon the strength of the absorption and the overlapping among gaseous absorption, different approaches are applied to parameterize these minor absorption. The parameterizations are accurate and require little extra time for computing radiative fluxes. They have been efficiently implemented in the various atmospheric models at NASA/Goddard Space Flight Center, including cloud ensemble, mesoscale, and climate models.

  9. A study of the structure of the ν1(HF) absorption band of the СH3СN…HF complex

    NASA Astrophysics Data System (ADS)

    Gromova, E. I.; Glazachev, E. V.; Bulychev, V. P.; Koshevarnikov, A. M.; Tokhadze, K. G.

    2015-09-01

    The ν1(HF) absorption band shape of the CH3CN…HF complex is studied in the gas phase at a temperature of 293 K. The spectra of gas mixtures CH3CN/HF are recorded in the region of 4000-3400 cm-1 at a resolution from 0.1 to 0.005 cm-1 with a Bruker IFS-120 HR vacuum Fourier spectrometer in a cell 10 cm in length with wedge-shaped sapphire windows. The procedure used to separate the residual water absorption allows more than ten fine-structure bands to be recorded on the low-frequency wing of the ν1(HF) band. It is shown that the fine structure of the band is formed primarily due to hot transitions from excited states of the low-frequency ν7 librational vibration. Geometrical parameters of the equilibrium nuclear configuration, the binding energy, and the dipole moment of the complex are determined from a sufficiently accurate quantum-chemical calculation. The frequencies and intensities for a number of spectral transitions of this complex are obtained in the harmonic approximation and from variational solutions of anharmonic vibrational problems.

  10. Calculating Effect of Point Defects on Optical Absorption Spectra of III-V Semiconductor Superlattices Based on (8x8) k-dot-p Band Structures

    NASA Astrophysics Data System (ADS)

    Huang, Danhong; Iurov, Andrii; Gumbs, Godfrey; Cardimona, David; Krishna, Sanjay

    For a superlattice which is composed of layered zinc-blende structure III-V semiconductor materials, its realistic anisotropic band structures around the Gamma-point are calculated by using the (8x8)k-dot-p method with the inclusion of the self-consistent Hartree potential and the spin-orbit coupling. By including the many-body screening effect, the obtained band structures are further employed to calculate the optical absorption coefficient which is associated with the interband electron transitions. As a result of a reduced quasiparticle lifetime due to scattering with point defects in the system, the self-consistent vertex correction to the optical response function is also calculated with the help of the second-order Born approximation.

  11. Absorption band Q model for the Earth

    NASA Technical Reports Server (NTRS)

    Anderson, D. L.; Given, J. W.

    1981-01-01

    Attenuation in solids and liquids, as measured by the quality factor Q, is typically frequency dependent. In seismology, however, Q is usually assumed to be independent of frequency. Body wave, surface wave, and normal mode data are used to place constraints on the frequency dependence of Q in the mantle. Specific features of the absorption band model are: low-Q in the seismic band at both the top and the base of the mantle, low-Q for long-period body waves in the outer core, an inner core Q sub s that increases with period, and low Q sub p/Q sub s at short periods in the middle mantle.

  12. Enhanced dual-band infrared absorption in a Fabry-Perot cavity with subwavelength metallic grating.

    PubMed

    Kang, Guoguo; Vartiainen, Ismo; Bai, Benfeng; Turunen, Jari

    2011-01-17

    The performance of infrared (IR) dual-band detector can be substantially improved by simultaneously increasing IR absorptions for both sensor bands. Currently available methods only provide absorption enhancement for single spectral band, but not for the dual-band. The Fabry-Perot (FP) cavity generates a series of resonances in multispectral bands. With this flexibility, we introduced a novel type of dual-band detector structure containing a multilayer FP cavity with two absorbing layers and a subwavelength-period grating mirror, which is capable of simultaneously enhancing the middle wave infrared (MWIR) and the long wave infrared (LWIR) detection. Compared with the bare-absorption-layer detector (common dual-band detector), the optimized FP cavity can provide about 13 times and 17 times absorption enhancement in LWIR and MWIR bands respectively. PMID:21263618

  13. Increasing efficiency in intermediate band solar cells with overlapping absorptions

    NASA Astrophysics Data System (ADS)

    Krishna, Akshay; Krich, Jacob J.

    2016-07-01

    Intermediate band (IB) materials are promising candidates for realizing high efficiency solar cells. In IB photovoltaics, photons are absorbed in one of three possible electronic transitions—valence to conduction band, valence to intermediate band, or intermediate to conduction band. With fully concentrated sunlight, when the band gaps have been chosen appropriately, the highest efficiency IB solar cells require that these three absorptions be non-overlapping, so absorbed photons of fixed energy contribute to only one transition. The realistic case of overlapping absorptions, where the transitions compete for photons, is generally considered to be a source of loss. We show that overlapping absorptions can in fact lead to significant improvements in IB solar cell efficiencies, especially for IB that are near the middle of the band gap. At low to moderate concentration, the highest efficiency requires overlapping absorptions. We use the detailed-balance method and indicate how much overlap of the absorptions is required to achieve efficiency improvements, comparing with some known cases. These results substantially broaden the set of materials that can be suitable for high-efficiency IB solar cells.

  14. Photonic band-edge-induced enhancement in absorption and emission

    NASA Astrophysics Data System (ADS)

    Ummer, Karikkuzhi Variyath; Vijaya, Ramarao

    2015-01-01

    An enhancement in photonic band-edge-induced absorption and emission from rhodamine-B dye doped polystyrene pseudo gap photonic crystals is studied. The band-edge-induced enhancement in absorption is achieved by selecting the incident angle of the excitation beam so that the absorption spectrum of the emitter overlaps the photonic band edge. The band-edge-induced enhancement in emission, on the other hand, is possible with and without an enhancement in band-edge-induced absorption, depending on the collection angle of emission. Through a simple set of measurements with suitably chosen angles for excitation and emission, we achieve a maximum enhancement of 70% in emission intensity with band-edge-induced effects over and above the intrinsic emission in the case of self-assembled opals. This is a comprehensive effort to interpret tunable lasing in opals as well as to predict the wavelength of lasing arising as a result of band-edge-induced distributed feedback effects.

  15. Optical absorption of nanoporous silicon: quasiparticle band gaps and absorption spectra

    NASA Astrophysics Data System (ADS)

    Shi, Guangsha; Kioupakis, Emmanouil

    2013-03-01

    Silicon is an earth-abundant material of great importance in semiconductors electronics, but its photovoltaic applications are limited by the low absorption coefficient in the visible due to its indirect band gap. One strategy to improve the absorbance is to perforate silicon with nanoscale pores, which introduce carrier scattering that enables optical transitions across the indirect gap. We used density functional and many-body perturbation theory in the GW approximation to investigate the electronic and optical properties of porous silicon for various pore sizes, spacings, and orientations. Our calculations include up to 400 atoms in the unit cell. We will discuss the connection of the band-gap value and absorption coefficient to the underlying nanopore geometry. The absorption coefficient in the visible range is found to be optimal for appropriately chosen nanopore size, spacing, and orientation. Our work allows us to predict porous-silicon structures that may have optimal performance in photovoltaic applications. This research was supported as part of CSTEC, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science. Computational resources were provided by the DOE NERSC facility.

  16. Strong terahertz absorption using thin metamaterial structures

    SciTech Connect

    Alves, Fabio; Kearney, Brian; Grbovic, Dragoslav; Lavrik, Nickolay V; Karunasiri, Gamani

    2012-01-01

    Metamaterial absorbers with nearly 100% absorption in the terahertz (THz) spectral band have been designed and fabricated using a periodic array of aluminum (Al) squares and an Al ground plane separated by a thin silicon dioxide (SiO{sub 2}) dielectric film. The entire structure is less than 1.6 mm thick making it suitable for the fabrication of microbolometers or bi-material sensors for THz imaging. Films with different dielectric layer thicknesses exhibited resonant absorption at 4.1, 4.2, and 4.5 THz with strengths of 98%, 95%, and 88%, respectively. The measured absorption spectra are in good agreement with simulations using finite element modeling.

  17. Observation of temperature dependence of the IR hydroxyl absorption bands in silica optical fiber

    NASA Astrophysics Data System (ADS)

    Yu, Li; Bonnell, Elizabeth; Homa, Daniel; Pickrell, Gary; Wang, Anbo; Ohodnicki, P. R.; Woodruff, Steven; Chorpening, Benjamin; Buric, Michael

    2016-07-01

    This study reports on the temperature dependent behavior of silica based optical fibers upon exposure to high temperatures in hydrogen and ambient air. The hydroxyl absorption bands in the wavelength range of 1000-2500 nm of commercially available multimode fibers with pure silica and germanium doped cores were examined in the temperature range of 20-800 °C. Two hydroxyl-related infrared absorption bands were observed: ∼2200 nm assigned to the combination of the vibration mode of Si-OH bending and the fundamental hydroxyl stretching mode, and ∼1390 nm assigned to the first overtone of the hydroxyl stretching. The absorption in the 2200 nm band decreased in intensity, while the 1390 nm absorption band shifted to longer wavelengths with an increase in temperature. The observed phenomena were reversible with temperature and suspected to be due, in part, to the conversion of the OH spectral components into each other and structural relaxation.

  18. Modelling of Collision Induced Absorption Spectra Of H2-H2 Pairs for the Planetary Atmospheres Structure: The Second Overtone Band

    NASA Technical Reports Server (NTRS)

    Borysow, Aleksandra; Borysow, Jacek I.

    1998-01-01

    The main objective of the proposal was to model the collision induced, second overtone band of gaseous hydrogen at low temperatures. The aim of this work is to assist planetary scientists in their investigation of planetary atmospheres, mainly those of Uranus and Neptune. The recently completed extended database of collision induced dipole moments of hydrogen pairs allowed us, for the first time, to obtain dipole moment matrix elements responsible for the roto-vibrational collision induced absorption spectra of H2-H2 in the second overtone band. Despite our numerous attempts to publish those data, the enormous volume of the database did not allow us to do this. Instead, we deposited the data on a www site. The final part of this work has been partially supported by NASA, Division for Planetary Atmospheres. In order to use our new data for modelling purpose, we first needed to test how well we can reproduce the existing experimental data from theory, when using our new input data. Two papers resulted from this work. The obtained agreement between theoretical results and the measurements appeared to be within 10-30%. The obviously poorer agreement than observed for the first H2 overtone, the fundamental, and the rototranslational bands can be attributed to the fact that dipole moments responsible for the second overtone are much weaker, therefore susceptible to larger numerical uncertainties. At the same time, the intensity of the second overtone band is much weaker and therefore it is much harder to be measured accurately in the laboratory. We need to point out that until now, no dependable model of the 2nd overtone band was available for modelling of the planetary atmospheres. The only one, often referred to in previous works on Uranian and Neptune's atmospheres, uses only one lineshape, with one (or two) parameter(s) deduced at the effective temperature of Uranus (by fitting the planetary observation). After that, the parameter(s) was(were) made temperature

  19. Automated Extraction of Absorption Bands from Reflectance Special

    NASA Technical Reports Server (NTRS)

    Huguenin, R. L.; Vale, L.; Mcintire, D.; Jones, J.

    1985-01-01

    A multiple high order derivative spectroscopy technique has been developed for deriving wavelength positions, half widths, and heights of absorption bands in reflectance spectra. The technique is applicable to laboratory spectra as well as medium resolution (100-200/cm) telescope or spacecraft spectra with moderate (few percent) noise. The technique permits absorption band positions to be detected with an accuracy of better than 3%, and often better than 1%. The high complexity of radiative transfer processes in diffusely reflected spectra can complicate the determination of absorption band positions. Continuum reflections, random illumination geometries within the material, phase angle effects, composite overlapping bands, and calibration uncertainties can shift apparent band positions by 20% from their actual positions or mask them beyond detection. Using multiple high order derivative analysis, effects of scattering continua, phase angle, and calibration (smooth features) are suppressed. Inflection points that characterize the positions and half widths of constituent bands are enhanced by the process and directly detected with relatively high sensitivity.

  20. Polar solvent structural parameters from protonation equilibria of aliphatic and alicyclic diamines and from absorption bands of mixed-valence transition-metal complexes

    NASA Astrophysics Data System (ADS)

    Kornyshev, A. A.; Ulstrup, J.

    1986-04-01

    We have applied non-local electrostatic theory in combination with a simple solute model to obtain solvent structural properties in terms of the short-range dielectric constant, ˜ge, and the correlation length for the solvent polarization fluctuations, A. These parameters are fitted to experimental data for the free energy of interaction between protonated amino groups in dibasic amines and for intervalence band maxima of binuclear ruthenium complexes with bridge groups of varying length. The results show that non-local screening in the outer solvent, ˜ge in the range 3.5-4 for water, and A ≈ 2-3 Å and 4 Å for acetonitrile and water, respectively, provide good fits to the data, implying the significance of solvent structural effects for these phenomena.

  1. Absorptivity of nitric oxide in the fundamental vibrational band

    NASA Astrophysics Data System (ADS)

    Holland, R. F.; Vasquez, M. C.; Beattie, W. H.; McDowell, R. S.

    1983-05-01

    From observations of the spectral absorbance of mixtures of nitric oxide in nitrogen at room temperature, an integrated absorptivity for the NO fundamental band of 137.3 + or - 4.6 per(sq cm atm) at 0 C is derived. The indicated uncertainty is the estimated maximum error.

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

    NASA Astrophysics Data System (ADS)

    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.

    2015-06-01

    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.

  3. Electronic structure and optic absorption of phosphorene under strain

    NASA Astrophysics Data System (ADS)

    Duan, Houjian; Yang, Mou; Wang, Ruiqiang

    2016-07-01

    We studied the electronic structure and optic absorption of phosphorene (monolayer of black phosphorus) under strain. Strain was found to be a powerful tool for the band structure engineering. The in-plane strain in armchair or zigzag direction changes the effective mass components along both directions, while the vertical strain only has significant effect on the effective mass in the armchair direction. The band gap is narrowed by compressive in-plane strain and tensile vertical strain. Under certain strain configurations, the gap is closed and the energy band evolves to the semi-Dirac type: the dispersion is linear in the armchair direction and is gapless quadratic in the zigzag direction. The band-edge optic absorption is completely polarized along the armchair direction, and the polarization rate is reduced when the photon energy increases. Strain not only changes the absorption edge (the smallest photon energy for electron transition), but also the absorption polarization.

  4. Photodissociation of vibrationally excited water in the first absorption band

    NASA Astrophysics Data System (ADS)

    Weide, Klaus; Hennig, Steffen; Schinke, Reinhard

    1989-12-01

    We investigate the photodissociation of highly excited vibrational states of water in the first absorption band. The calculation includes an ab initio potential energy surface for the Östate and an ab initio X˜→Ã transition dipole function. The bending angle is fixed at the equilibrium value within the ground electronic state. Most interesting is the high sensitivity of the final vibrational distribution of OH on the initially prepared vibrational state of H2 O. At wavelengths near the onset of the absorption spectrum the vibrational state distribution can be qualitatively understood as a Franck-Condon mapping of the initial H2 O wave function. At smaller wavelengths final state interaction in the excited state becomes stronger and the distributions become successively broader. Our calculations are in satisfactory accord with recent measurements of Vander Wal and Crim.

  5. Band structure in 113Sn

    NASA Astrophysics Data System (ADS)

    Banerjee, P.; Ganguly, S.; Pradhan, M. K.; Sharma, H. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.

    2016-07-01

    The structure of collective bands in 113Sn, populated in the reaction 100Mo(19F,p 5 n ) at a beam energy of 105 MeV, has been studied. A new positive-parity sequence of eight states extending up to 7764.9 keV and spin (39 /2+) has been observed. The band is explained as arising from the coupling of the odd valence neutron in the g7 /2 or the d5 /2 orbital to the deformed 2p-2h proton configuration of the neighboring even-A Sn isotope. Lifetimes of six states up to an excitation energy of 9934.9 keV and spin 47 /2-belonging to a Δ I =2 intruder band have been measured for the first time, including an upper limit for the last state, from Doppler-shift-attenuation data. A moderate average quadrupole deformation β2=0.22 ±0.02 is deduced from these results for the five states up to spin 43 /2- . The transition quadrupole moments decrease with increase in rotational frequency, indicating a reduction of collectivity with spin, a feature common for terminating bands. The behavior of the kinematic and dynamic moments of inertia as a function of rotational frequency has been studied and total Routhian surface calculations have been performed in an attempt to obtain an insight into the nature of the states near termination.

  6. Parallel LC circuit model for multi-band absorption and preliminary design of radiative cooling.

    PubMed

    Feng, Rui; Qiu, Jun; Liu, Linhua; Ding, Weiqiang; Chen, Lixue

    2014-12-15

    We perform a comprehensive analysis of multi-band absorption by exciting magnetic polaritons in the infrared region. According to the independent properties of the magnetic polaritons, we propose a parallel inductance and capacitance(PLC) circuit model to explain and predict the multi-band resonant absorption peaks, which is fully validated by using the multi-sized structure with identical dielectric spacing layer and the multilayer structure with the same strip width. More importantly, we present the application of the PLC circuit model to preliminarily design a radiative cooling structure realized by merging several close peaks together. This omnidirectional and polarization insensitive structure is a good candidate for radiative cooling application. PMID:25607485

  7. Isothermal annealing of a 620 nm optical absorption band in Brazilian topaz crystals

    NASA Astrophysics Data System (ADS)

    Isotani, Sadao; Matsuoka, Masao; Albuquerque, Antonio Roberto Pereira Leite

    2013-04-01

    Isothermal decay behaviors, observed at 515, 523, 562, and 693 K, for an optical absorption band at 620 nm in gamma-irradiated Brazilian blue topaz were analyzed using a kinetic model consisting of O- bound small polarons adjacent to recombination centers (electron traps). The kinetic equations obtained on the basis of this model were solved using the method of Runge-Kutta and the fit parameters describing these defects were determined with a grid optimization method. Two activation energies of 0.52±0.08 and 0.88±0.13 eV, corresponding to two different structural configurations of the O- polarons, explained well the isothermal decay curves using first-order kinetics expected from the kinetic model. On the other hand, thermoluminescence (TL) emission spectra measured at various temperatures showed a single band at 400 nm in the temperature range of 373-553 K in which the 620 nm optical absorption band decreased in intensity. Monochromatic TL glow curve data at 400 nm extracted from the TL emission spectra observed were found to be explained reasonably by using the knowledge obtained from the isothermal decay analysis. This suggests that two different structural configurations of O- polarons are responsible for the 620 nm optical absorption band and that the thermal annealing of the polarons causes the 400 nm TL emission band.

  8. Effect of Substitution of Mn, Cu, and Zr on the Structural, Magnetic, and Ku-Band Microwave-Absorption Properties of Strontium Hexaferrite Nanoparticles

    NASA Astrophysics Data System (ADS)

    Rostami, Mohammad; Moradi, Mahmood; Alam, Reza Shams; Mardani, Reza

    2016-08-01

    The ferrites with the compositions of SrMn x Cu x Zr2 x Fe(12-4 x)O19 ( x = 0.0, 0.2, 0.3, 0.4, and 0.5) are synthesized by the coprecipitation method. The formation of M-type hexaferrite is confirmed by x-ray diffraction (XRD) and Fourier transform infrared (FTIR) analyses. The morphology of the samples is shown by field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) microscopy. Vibrating sample magnetometer (VSM) analysis has been used for the investigation of the magnetic properties, and the reason for the changes in the magnetic properties as a result of doping, are expressed. The values of coercivity decrease by increasing the amount of substitution, which could be related to the modification of anisotropy form the c-axis toward the c-plane. Finally, we have used vector network analysis to investigate the microwave absorption properties. We find that the samples with the composition of SrMn0.4Cu0.4Zr0.8Fe10.4O19 have the largest reflection loss and the widest bandwidth among these samples.

  9. 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

  10. Rotational Profiles of Molecular Absorption Bands in Astrophysically Relevant Conditions: Ab-Initio Approach

    SciTech Connect

    Malloci, Giuliano; Mulas, Giacomo; Cappellini, Giancarlo; Satta, Guido; Porceddu, Ignazio; Benvenuti, Piero

    2004-05-01

    A theoretical study of rotational profiles of molecular absorption bands is essential for direct comparison with observations of diffuse interstellar bands. Applications using gaussian quantum-chemical approach within DFT are presented. Structural and vibrational properties of the polycyclic aromatic hydrocarbon ovalene cation (C32H14+) are obtained. We discuss the expected profile of the first electronic transition of such molecule, obtained with a Monte Carlo model of its rotation in the physical conditions of low temperatures and absence of collisions which are characteristic of the interstellar medium (ISM).

  11. Absorption spectrum of NO in the {gamma}(O, O) band

    SciTech Connect

    Zobnin, A.V.; Korotkov, A.N.

    1995-05-01

    A promising technique for determining the concentration of nitrogen oxide in the air of an industrial zone and in process gases is the measurement of the absorption of UV radiation by this molecule in the {gamma}(O,O) band with the center of {lambda}{sub 0} = 226.5 nm. This band corresponds to the transition X{sup 2}{Pi}{yields}{Alpha}{sup 2}{Sigma} of the NO molecule and is characterized by a complex rotational structure consisting of about 400 lines. This structure cannot be resolved completely by most spectral instruments. However, if the width of the spread function of the device is perceptibly smaller than the width of the given absorption band ({approx_equal}2 nm), but larger than the characteristic space between rotational lines ({approx_equal}0.02 nm), then the recorded transmission spectra of NO are almost insensitive to a change in the form of this function. In the given case, to describe the transmission spectrum it is possible to use the absorption coefficient averaged over rotational lines. And even though the Bouger-Lambert-Beer law is not strictly applicable for this spectrum, the dependence of the transmission spectrum of NO on the optical thickness, temperature, and pressure of the broadening gas can be represented in the form of an empirical dependence that can be useful in practice, for example, when processing the absorption spectra recorded by dispersion gas analyzers. Thus, the need for complex and laborious calculations is avoided, and this simplifies considerably the instrumental implementation of this method of measuring the concentration of NO. The object of the present work is to determine the empirical dependence of the absorption spectrum of NO in the {gamma}(O, O) band on the optical thickness, temperature, and pressure of the broadening gas in the ranges most frequently encountered in operation of dispersion gas analyzers.

  12. Photonic band gap structure simulator

    DOEpatents

    Chen, Chiping; Shapiro, Michael A.; Smirnova, Evgenya I.; Temkin, Richard J.; Sirigiri, Jagadishwar R.

    2006-10-03

    A system and method for designing photonic band gap structures. The system and method provide a user with the capability to produce a model of a two-dimensional array of conductors corresponding to a unit cell. The model involves a linear equation. Boundary conditions representative of conditions at the boundary of the unit cell are applied to a solution of the Helmholtz equation defined for the unit cell. The linear equation can be approximated by a Hermitian matrix. An eigenvalue of the Helmholtz equation is calculated. One computation approach involves calculating finite differences. The model can include a symmetry element, such as a center of inversion, a rotation axis, and a mirror plane. A graphical user interface is provided for the user's convenience. A display is provided to display to a user the calculated eigenvalue, corresponding to a photonic energy level in the Brilloin zone of the unit cell.

  13. Propane absorption band intensities and band model parameters from 680 to 1580/cm at 296 and 200 K

    NASA Technical Reports Server (NTRS)

    Giver, L. P.; Valero, F. P. J.; Varanasi, P.

    1984-01-01

    Band intensities and profiles have been measured for the propane absorption bands from 680 to 1580/cm at 296 and 200 K. This work was stimulated by the discovery of several propane bands in the spectrum of Titan by the Voyager 1 spacecraft. The low temperature laboratory data show that the bands become narrower and the Q branches of the bands somewhat stronger than they are at room temperature. Random band model parameters were determined over the entire region from the 42 spectra obtained at room temperature.

  14. Nitric oxide γ band fluorescent scattering and self-absorption in the mesosphere and lower thermosphere

    NASA Astrophysics Data System (ADS)

    Stevens, Michael H.

    1995-08-01

    The fluorescent scattering of UV sunlight and self-absorption by the nitric oxide (NO) γ bands between 2000-2500 Å are quantified for the purpose of inferring NO density profiles as a function of altitude in the mesosphere and above. Rotational line emission rate factors and cross sections are calculated at a variety of temperatures. The observed variation of the solar spectrum across the γ bands and its effect on emission rate factors are explored by using irradiance measurements that resolve features down to 0.1 Å. The model also includes quenching by O2 and N2, multiple scattering, temperature effects, attenuation of the solar irradiance by O2 and ozone, and self-absorption with the summation of adjacent rotational features. Results indicate that for resonant γ bands, the rotational structure in emission is not symmetric to that in absorption so that as self-absorption increases the shape of the observed emission envelope changes. For γ(1,0) this is largely characterized by an increase in the integrated emission observed longward of 2151 Å compared to shortward. It is found that solar irradiances measured at 0.1 Å resolution decrease the calculated γ(1,0) and γ(0,0) band emission rate factors by less than 3% compared to those measured at 2 Å resolution. However, more Fraunhofer structure included in the calculation is reflected in the relative intensities of the rotational features. It is also found that extinction of the solar irradiance by ozone and quenching by O2 rapidly reduce the γ(1,0) emission rate factor with decreasing altitude below 60 km.

  15. Decomposing the First Absorption Band of OCS Using Photofragment Excitation Spectroscopy.

    PubMed

    Toulson, Benjamin W; Murray, Craig

    2016-09-01

    Photofragment excitation spectra of carbonyl sulfide (OCS) have been recorded from 212-260 nm by state-selectively probing either electronically excited S((1)D) or ground state S((3)P) photolysis products via 2 + 1 resonance-enhanced multiphoton ionization. Probing the major S((1)D) product results in a broad, unstructured action spectrum that reproduces the overall shape of the first absorption band. In contrast, spectra obtained probing S((3)P) products display prominent resonances superimposed on a broad continuum; the resonances correspond to the diffuse vibrational structure observed in the conventional absorption spectrum. The vibrational structure is assigned to four progressions, each dominated by the C-S stretch, ν1, following direct excitation to quasi-bound singlet and triplet states. The S((3)PJ) products are formed with a near-statistical population distribution over the J = 2, 1, and 0 spin-orbit levels across the wavelength range investigated. Although a minor contributor to the S atom yield near the peak of the absorption cross section, the relative yield of S((3)P) increases significantly at longer wavelengths. The experimental measurements validate recent theoretical work characterizing the electronic states responsible for the first absorption band by Schmidt and co-workers. PMID:27552402

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

    SciTech Connect

    Dey, Anup; Maiti, Biswajit; Chanda, Debasree

    2014-04-14

    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{sup →}) 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, Hg{sub 1−x}Cd{sub x}Te, and In{sub 1−x}Ga{sub x}As{sub y}P{sub 1−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.

  17. Origin of the red shifts in the optical absorption bands of nonplanar tetraalkylporphyrins.

    PubMed

    Haddad, Raid E; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J; Shelnutt, John A

    2003-02-01

    The view that the large red shifts seen in the UV-visible absorption bands of peripherally crowded nonplanar porphyrins are the result of nonplanar deformations of the macrocycle has recently been challenged by the suggestion that the red shifts arise from substituent-induced changes in the macrocycle bond lengths and bond angles, termed in-plane nuclear reorganization (IPNR). We have analyzed the contributions to the UV-visible band shifts in a series of nickel or zinc meso-tetraalkylporphyrins to establish the origins of the red shifts in these ruffled porphyrins. Structures were obtained using a molecular mechanics force field optimized for porphyrins, and the nonplanar deformations were quantified by using normal-coordinate structural decomposition (NSD). Transition energies were calculated by the INDO/S semiempirical method. These computational studies demonstrate conclusively that the large Soret band red shifts ( approximately 40 nm) seen for very nonplanar meso-tetra(tert-butyl)porphyrin compared to meso-tetra(methyl)porphyrin are primarily the result of nonplanar deformations and not IPNR. Strikingly, nonplanar deformations along the high-frequency 2B(1u) and 3B(1u) normal coordinates of the macrocycle are shown to contribute significantly to the observed red shifts, even though these deformations are an order of magnitude smaller than the observed ruffling (1B(1u)) deformation. Other structural and electronic influences on the UV-visible band shifts are discussed and problems with the recent studies are examined (e.g., the systematic underestimation of the 2B(1u) and 3B(1u) modes in artificially constrained porphyrin structures that leads to a mistaken attribution of the red shift to IPNR). The effect of nonplanar deformations on the UV-visible absorption bands is then probed experimentally with a series of novel bridled nickel chiroporphyrins. In these compounds, the substituent effect is essentially invariant and the amount of nonplanar deformation

  18. Absorption coefficients and band strengths for the 703 nm and 727 bands of methane at 77 K

    SciTech Connect

    O`Brien, J.J.; Singh, K.

    1996-12-31

    The technique of intracavity laser spectroscopy has been used to obtain methane absorption spectra for the vibrational overtone bands that occur around 703 nm and 727 nm. Absorption coefficients for the 690-742 nm range have been obtained for a sample temperature of 77 K at a spectral resolution of <0.02 cm{sup -1}. A new method of data analysis is utilized in obtaining the results. It involves deconvolving the many ILS spectral profiles that comprise the absorption bands and summing the results. Values averaged over 1 cm{sup -1} and 1 {Angstrom} intervals are provided. Band strengths also are obtained. The total intensities of the 703 and 727 nm bands are in reasonable agreement with previous laboratory determinations which were obtained for relatively high pressures of methane at room temperature using lower spectral resolution. The methane bands appear in the reflected sunlight spectra from the outer planets. Results averaged over 1 nm intervals are compared with other laboratory studies and with those derived from observations of the outer planets. The band profiles differ considerably from other laboratory results but are in good accord with the planetary observations. Laboratory spectra of methane at appropriate conditions are required for the proper interpretation of the observational data. Absorption spectra can provide some of the most sensitive diagnostic data on the atmospheres of those bodies.

  19. Infrared absorption band in deformed qtz crystals analyzed by combining different microstructural methods

    NASA Astrophysics Data System (ADS)

    Stunitz, Holger; Thust, Anja; Behrens, Harald; Heilbronner, Renee; Kilian, Ruediger

    2016-04-01

    Natural single crystals of quartz have been experimentally deformed in two orientations: (1) normal to one prism-plane, (2) In O+ orientation at temperatures of 900 and 1000°C, pressures of 1.0 and 1.5 GPa, and strain rates of ~1 x 10-6s-1. The starting material is milky quartz, consisting of dry quartz (H2O contents of <150 H/106Si) with fluid inclusions (FI). During pressurization many FÍs decrepitate. Cracks heal and small neonate FÍs form, increasing the number of FÍs drastically. During subsequent deformation, the size of FÍs is further reduced (down to ~10 nm). Sample deformation occurs by dominant dislocation glide on selected slip systems, accompanied by some dynamic recovery. Strongly deformed regions show FTIR spectra with a pointed broad absorption band in the ~3400 cm-1 region as a superposition of molecular H2O bands and three discrete absorption bands (at 3367, 3400, and 3434 cm-1). In addition, there is a discrete absorption band at 3585 cm-1, which only occurs in deformed regions. The 3585 cm-1 band is reduced or even disappears after annealing. This band is polarized and represents structurally bound H, its H-content is estimated to be 1-3% of the total H2O-content and appears to be associated with dislocations. The H2O weakening effect in our FI-bearing natural quartz crystals is assigned to the processes of dislocation generation and multiplication at small FÍs. The deformation processes in these crystals represent a recycling of H2O between FÍs, dislocation generation at very small fluid inclusions, incorporation of structurally bound H into dislocation cores, and release of H2O from dislocations back into FÍs during recovery. Cracking and crack healing play an important role in the recycling process and imply a close interrelationship between brittle and crystal plastic deformation. The H2O weakening by this process is of a disequilibrium nature and thus depends on the amount of H2O available.

  20. Removal of OH Absorption Bands Due to Pyrohydrolysis Reactions in Fluoride-Containing Borosilicate Glasses

    NASA Astrophysics Data System (ADS)

    Kobayashi, Keiji

    1997-05-01

    The purpose of this study is to decrease and to remove OH ions and H2O in borosilicate glasses. Fluoride-containing borosilicate glasses followed by dry-air-bubbling showed the significant decrease of OH absorption bands around 3500 cm-1. The decrease of OH absorption bands was elucidated by the use of pyrohydrolysis reactions in these glasses where fluoride ions react with OH ions or H2O during melting. The rates of the decrease of OH absorption bands substantially depend on high valence cations of fluorides. Particularly, the decrease rates of OH absorption coefficients were in the order of ZrF4-containing glass>AlF3-containing glass>ZnF2-containing glass. ZrF4-containing glass treated by dry-air-bubbling showed a good capability to remove OH absorption band. Fluoride-containing glasses showed the low flow point in comparison with fluoride-free glasses.

  1. Theoretical reproduction of the Q-band absorption spectrum of free-base chlorin

    NASA Astrophysics Data System (ADS)

    Wójcik, Justyna; Ratuszna, Alicja; Peszke, Jerzy; Wrzalik, Roman

    2015-01-01

    The computational results of the features observed in the room-temperature Q-band absorption spectrum of free-base chlorin (H2Ch) are presented. The vibrational structures of the first and second excited singlet states were calculated based on a harmonic approximation using density functional theory and its time dependent extension within the Franck-Condon and Herzberg-Teller approaches. The outcome allowed to identify the experimental bands and to assign them to the specific vibrational transitions. A very good agreement between the simulated and measured wavelengths and their relative intensities provided the opportunity to predict the origin of the S0 → S2 transition which could not be determined experimentally.

  2. Theoretical reproduction of the Q-band absorption spectrum of free-base chlorin.

    PubMed

    Wójcik, Justyna; Ratuszna, Alicja; Peszke, Jerzy; Wrzalik, Roman

    2015-01-21

    The computational results of the features observed in the room-temperature Q-band absorption spectrum of free-base chlorin (H2Ch) are presented. The vibrational structures of the first and second excited singlet states were calculated based on a harmonic approximation using density functional theory and its time dependent extension within the Franck-Condon and Herzberg-Teller approaches. The outcome allowed to identify the experimental bands and to assign them to the specific vibrational transitions. A very good agreement between the simulated and measured wavelengths and their relative intensities provided the opportunity to predict the origin of the S0 → S2 transition which could not be determined experimentally. PMID:25612704

  3. Band structure of 235U

    NASA Astrophysics Data System (ADS)

    Ward, D.; Macchiavelli, A. O.; Clark, R. M.; Cline, D.; Cromaz, M.; Deleplanque, M. A.; Diamond, R. M.; Fallon, P.; Görgen, A.; Hayes, A. B.; Lane, G. J.; Lee, I.-Y.; Nakatsukasa, T.; Schmidt, G.; Stephens, F. S.; Svensson, C. E.; Teng, R.; Vetter, K.; Wu, C. Y.

    2012-12-01

    Over a period of several years we have performed three separate experiments at Lawrence Berkeley National Laboratory's 88-Inch Cyclotron in which 235U (thick target) was Coulomb-excited. The program involved stand-alone experiments with Gammmasphere and with the 8pi Spectrometer using 136Xe beams at 720 MeV, and a CHICO-Gammasphere experiment with a 40Ca beam at 184 MeV. In addition to extending the known negative-parity bands to high spin, we have assigned levels in some seven positive-parity bands which are in some cases (e.g., [631]1/2, [624]7/2, and [622]5/2) strongly populated by E3 excitation. The CHICO data have been analyzed to extract E2 and E3 matrix elements from the observed yields. Additionally, many M1 matrix elements could be extracted from the γ-ray branching ratios. A number of new features have emerged, including the unexpected attenuation of magnetic transitions between states of the same Nilsson multiplet, the breakdown of Coriolis staggering at high spin, and the effect of E3 collectivity on Coriolis interactions.

  4. Experimental study of absorption band controllable planar metamaterial absorber using asymmetrical snowflake-shaped configuration

    NASA Astrophysics Data System (ADS)

    Huang, Yongjun; Tian, Yiran; Wen, Guangjun; Zhu, Weiren

    2013-05-01

    In this paper, we systematically discuss a novel planar metamaterial absorber (PMA) based on asymmetrical snowflake-shaped resonators, which can exhibit two distinctly different absorption states, single- and dual-band absorptions, by controlling the branch lengths of the proposed resonators. Numerical simulations and experimental measurements are employed to investigate these two kinds of absorption characteristic in an X-band rectangular waveguide. Both results indicate that such a PMA exhibits a wide range of controllable operating frequencies for the single- and dual-band conditions. The proposed PMA is simple and easy to make, and it has wide applications in the fields of stealth technologies, thermal detectors, and imaging.

  5. Polarization-adjustable dual-band absorption in GHz-band metamaterial, based-on no-smoking symbol

    NASA Astrophysics Data System (ADS)

    Yoo, Young Joon; Kim, Young Ju; Lee, YoungPak; Lee, Myung Whan; Lee, Tae Gyun; Kim, Min Woo; Park, Jae Hyun

    2015-11-01

    We propose three kinds of the perfect metamaterial absorbers based on the well-known no-smoking symbol, which can adjust the absorption according to the polarization of incident electromagnetic wave. By modifying no-smoking symbol, a resonance absorption peak at 6.75 GHz can be controlled. In addition, a split-ring structure and the no-smoking symbol also adjust the absorption. We also demonstrate the absorption mechanism for all the structures. These results can be used in controlling absorption by the electromagnetic-wave detector.

  6. Quasiparticle band structure of HgSe

    SciTech Connect

    Rohlfing, M.; Louie, S.G.

    1998-04-01

    Motivated by a recent discussion about the existence of a fundamental gap in HgSe [Phys. Rev. Lett. {bold 78}, 3165 (1997)], we calculate the quasiparticle band structure of HgSe within the GW approximation for the electron self-energy. The band-structure results show that HgSe is a semimetal, which is in agreement with most experimental data. We observe a strong wave-vector dependence of the self-energy of the lowest conduction band, leading to an increased dispersion and a small effective mass. This may help to interpret recent photoemission spectroscopy measurements. {copyright} {ital 1998} {ital The American Physical Society}

  7. Position and Confidence Limits of an Extremum: The Determination of the Absorption Maximum in Wide Bands.

    ERIC Educational Resources Information Center

    Heilbronner, Edgar

    1979-01-01

    Discusses the determination of the position of the absorption maximum in wide bands as well as the confidence limits for such calculations. A simple method, suited for pocket calculators, for the numerical evaluation of these calculations is presented. (BB)

  8. HAC: Band Gap, Photoluminescence, and Optical/Near-Infrared Absorption

    NASA Technical Reports Server (NTRS)

    Witt, Adolf N.; Ryutov, Dimitri; Furton, Douglas G.

    1996-01-01

    We report results of laboratory measurements which illustrate the wide range of physical properties found among hydrogenated amorphous carbon (HAC) solids. Within this range, HAC can match quantitatively the astronomical phenomena ascribed to carbonaceous coatings on interstellar grains. We find the optical band gap of HAC to be well correlated with other physical properties of HAC of astronomical interest, and conclude that interstellar HAC must be fairly hydrogen-rich with a band gap of E(sub g) is approx. greater than 2.0 eV.

  9. Cause of absorption band shift of disperse red-13 attached on silica spheres

    NASA Astrophysics Data System (ADS)

    Kim, Byoung-Ju; Kim, Hyung-Deok; Kim, Na-Rae; Bang, Byeong-Gyu; Park, Eun-Hye; Kang, Kwang-Sun

    2015-08-01

    A reversible color change and large absorption band shift have been observed for the disperse red-13 (DR-13) attached on the surface of the monodisperse silica spheres. Two step synthetic processes including urethane bond formation and hydrolysis-condensation reactions were used to attach the DR-13 on the surface of the silica spheres. After the reaction, the characteristic absorption peak at 2270 cm-1 representing the -N=C=O asymmetric stretching vibration disappeared, and the a new absorption peak at 1700 cm-1 corresponding the C=O stretching vibration appeared. A visual and reversible color change was observed before and after wetting in alcohol. Although the absorption peak of DR-13 in alcohol is at 510 nm, the absorption peak shifts to 788 nm when it is dried. The absorption peak shifts to 718 nm when it is wetted in alcohol. This result can be explained by the formation of intramolecular charge transfer band.

  10. Atmospheric absorption of high frequency noise and application to fractional-octave bands

    NASA Technical Reports Server (NTRS)

    Shields, F. D.; Bass, H. E.

    1977-01-01

    Pure tone sound absorption coefficients were measured at 1/12 octave intervals from 4 to 100 KHz at 5.5K temperature intervals between 255.4 and 310.9 K and at 10 percent relative humidity increments between 0 percent and saturation in a large cylindrical tube (i.d., 25.4 cm; length, 4.8 m). Special solid-dielectric capacitance transducers, one to generate bursts of sound waves and one to terminate the sound path and detect the tone bursts, were constructed to fit inside the tube. The absorption was measured by varying the transmitter receiver separation from 1 to 4 m and observing the decay of multiple reflections or change in amplitude of the first received burst. The resulting absorption was compared with that from a proposed procedure for computing sound absorption in still air. Absorption of bands of noise was numerically computed by using the pure tone results. The results depended on spectrum shape, on filter type, and nonlinearly on propagation distance. For some of the cases considered, comparison with the extrapolation of ARP-866A showed a difference as large as a factor of 2. However, for many cases, the absorption for a finite band was nearly equal to the pure tone absorption at the center frequency of the band. A recommended prediction procedure is described for 1/3 octave band absorption coefficients.

  11. Evidence for sulphur implantation in Europa's UV absorption band

    NASA Technical Reports Server (NTRS)

    Lane, A. L.; Nelson, R. M.; Matson, D. L.

    1981-01-01

    The UV spectral characteristics of the Galilean satellites are investigated (using data from the International Ultraviolet Explorer (IUE) spacecraft) as a function of the orbital position, large-scale areal variability, and temporal dynamics. The discovery of an absorption feature at 280 nm in Europa's reflection spectrum is reported and observations show that the absorption is strongest on the trailing hemisphere (central longitude 270 degrees). The feature resembles SO2 and seems to result from S-O bond formation between deeply implanted sulphur atoms and the adjacent damaged water-ice-lattice. The sulphur supposedly comes from energetic (hundreds of keV) sulphur ions that are present in the Jovian magnetosphere. An appropriate equilibrium condition can be found to match the observed spectral data if sputtering erosion occurs at no greater than approximately 20 meters per one billion years.

  12. Nonequilibrium Green's function formulation of intersubband absorption for nonparabolic single-band effective mass Hamiltonian

    SciTech Connect

    Kolek, Andrzej

    2015-05-04

    The formulas are derived that enable calculations of intersubband absorption coefficient within nonequilibrium Green's function method applied to a single-band effective-mass Hamiltonian with the energy dependent effective mass. The derivation provides also the formulas for the virtual valence band components of the two-band Green's functions which can be used for more exact estimation of the density of states and electrons and more reliable treatment of electronic transport in unipolar n-type heterostructure semiconductor devices.

  13. Absorption enhancement in graphene photonic crystal structures.

    PubMed

    Khaleque, Abdul; Hattori, Haroldo T

    2016-04-10

    Graphene, a single layer of carbon atoms arranged in a honeycomb lattice, is attracting significant interest because of its potential applications in electronic and optoelectronic devices. Although graphene exhibits almost uniform absorption within a large wavelength range, its interaction with light is weak. In this paper, the enhancement of the optical absorption in graphene photonic crystal structures is studied: the structure is modified by introducing scatterers and mirrors. It is shown that the absorption of the graphene photonic crystal structure can be enhanced about four times (nearly 40%) with respect to initial reference absorption of 9.8%. The study can be a useful tool for investigating graphene physics in different optical settings. PMID:27139857

  14. Band gap tuning and optical absorption in type-II InAs/GaSb mid infrared short period superlattices: 14 bands K Dot-Operator p study

    SciTech Connect

    AbuEl-Rub, Khaled M.

    2012-09-06

    The MBE growth of short-period InAs/GaSb type-II superlattice structures, varied around 20.5 A InAs/24 A GaSb were [J. Applied physics, 96, 2580 (2004)] carried out by Haugan et al. These SLs were designed to produce devices with an optimum mid-infrared photoresponse and a sharpest photoresponse cutoff. We have used a realistic and reliable 14-band k.p formalism description of the superlattice electronic band structure to calculate the absorption coefficient in such short-period InAs/GaSb type-II superlattices. The parameters for this formalism are known from fitting to independent experiments for the bulk materials. The band-gap energies are obtained without any fitting parameters, and are in good agreement with experimental data.

  15. Possible spinel absorption bands in S-asteroid visible reflectance spectra

    NASA Technical Reports Server (NTRS)

    Hiroi, T.; Vilas, F.; Sunshine, J. M.

    1994-01-01

    Minor absorption bands in the 0.55 to 0.7 micron wavelength range of reflectance spectra of 10 S asteroids have been found and compared with those of spinel-group minerals using the modified Gaussian model. Most of these S asteroids are consistently shown to have two absorption bands around 0.6 and 0.67 micron. Of the spinel-group minerals examined in this study, the 0.6 and 0.67 micron bands are most consistent with those seen in chromite. Recently, the existence of spinels has also been detected from the absorption-band features around 1 and 2 micron of two S-asteroid reflectance spectra, and chromite has been found in a primitive achondrite as its major phase. These new findings suggest a possible common existence of spinel-group minerals in the solar system.

  16. Nonreciprocal microwave band-gap structures.

    PubMed

    Belov, P A; Tretyakov, S A; Viitanen, A J

    2002-07-01

    An electrically controlled nonreciprocal electromagnetic band-gap material is proposed and studied. The new material is a periodic three-dimensional regular lattice of small magnetized ferrite spheres. In this paper, we consider plane electromagnetic waves in this medium and design an analytical model for the material parameters. An analytical solution for plane-wave reflection from a planar interface is also presented. In the proposed material, a new electrically controlled stop band appears for one of the two circularly polarized eigenwaves in a frequency band around the ferrimagnetic resonance frequency. This frequency can be well below the usual lattice band gap, which allows the realization of rather compact structures. The main properties of the material are outlined. PMID:12241501

  17. Varied absorption peaks of dual-band metamaterial absorber analysis by using reflection theory

    NASA Astrophysics Data System (ADS)

    Xiong, Han; Yu, Yan-Tao; Tang, Ming-Chun; Chen, Shi-Yong; Liu, Dan-Ping; Ou, Xiang; Zeng, Hao

    2016-03-01

    Cross-resonator metamaterial absorbers (MMA) have been widely investigated from microwave to optical frequencies. However, only part of the factors influencing the absorption properties were analyzed in previous works at the same time. In order to completely understand how the spacer thickness, dielectric parameter and incidence angle affect the absorption properties of the dual-band MMA, two sets of simulation were performed. It was found that with increasing incident angles, the low-frequency absorption peak showed a blue shift, while the high-frequency absorption peaks showed a red shift. However, with the increase in spacer thickness, both of the absorption peaks showed a red shift. By using the reflection theory expressions, the physical mechanism of the cross-resonator MMA was well explained. This method provides an effective way to analyze multi-band absorber in technology.

  18. Energy absorption of composite material and structure

    NASA Technical Reports Server (NTRS)

    Farley, Gary L.

    1987-01-01

    Results are presented from a joint research program on helicopter crashworthiness conducted by the U.S. Army Aerostructures Directorate and NASA Langley. Through the ongoing research program an in-depth understanding has been developed on the cause/effect relationships between material and architectural variables and the energy-absorption capability of composite material and structure. Composite materials were found to be efficient energy absorbers. Graphite/epoxy subfloor structures were more efficient energy absorbers than comparable structures fabricated from Kevlar or aluminum. An accurate method of predicting the energy-absorption capability of beams was developed.

  19. Band structure engineering in organic semiconductors.

    PubMed

    Schwarze, Martin; Tress, Wolfgang; Beyer, Beatrice; Gao, Feng; Scholz, Reinhard; Poelking, Carl; Ortstein, Katrin; Günther, Alrun A; Kasemann, Daniel; Andrienko, Denis; Leo, Karl

    2016-06-17

    A key breakthrough in modern electronics was the introduction of band structure engineering, the design of almost arbitrary electronic potential structures by alloying different semiconductors to continuously tune the band gap and band-edge energies. Implementation of this approach in organic semiconductors has been hindered by strong localization of the electronic states in these materials. We show that the influence of so far largely ignored long-range Coulomb interactions provides a workaround. Photoelectron spectroscopy confirms that the ionization energies of crystalline organic semiconductors can be continuously tuned over a wide range by blending them with their halogenated derivatives. Correspondingly, the photovoltaic gap and open-circuit voltage of organic solar cells can be continuously tuned by the blending ratio of these donors. PMID:27313043

  20. X-ray absorption and reflection as probes of the GaN conduction bands: Theory and experiments

    SciTech Connect

    Lambrecht, W.R.L.; Rashkeev, S.N.; Segall, B.

    1997-04-01

    X-ray absorption measurements are a well-known probe of the unoccupied states in a material. The same information can be obtained by using glancing angle X-ray reflectivity. In spite of several existing band structure calculations of the group III nitrides and previous optical studies in UV range, a direct probe of their conduction band densities of states is of interest. The authors performed a joint experimental and theoretical investigation using both of these experimental techniques for wurtzite GaN.

  1. Measurement of the depolarization ratio of Rayleigh scattering at absorption bands

    NASA Astrophysics Data System (ADS)

    Anglister, J.; Steinberg, I. Z.

    1981-01-01

    Measurements of the depolarization ratio ρv of light scattered by the pigments lycopene and β-carotene at the red part of their absorption bands yielded values which are very close to the theoretical value 1/3 of a fully anisotropic molecular polarizability, i.e., that due to an electric dipole moment. Measurements of ρv at the blue edge of the visible absorption band of pinacyanol chloride yielded a value of 0.75 at 472.2 nm, which is the maximum value that a depolarization ratio can assume, and is attained if the average molecular polarizability is zero. This is possible only if the diagonalized polarizability tensor has at least one negative element to counterbalance the positive ones. A negative refractive index at the blue edge of the absorption band is thus experimentally demonstrated.

  2. Airborne imaging spectrometer data of the Ruby Mountains, Montana: Mineral discrimination using relative absorption band-depth images

    USGS Publications Warehouse

    Crowley, J.K.; Brickey, D.W.; Rowan, L.C.

    1989-01-01

    Airborne imaging spectrometer data collected in the near-infrared (1.2-2.4 ??m) wavelength range were used to study the spectral expression of metamorphic minerals and rocks in the Ruby Mountains of southwestern Montana. The data were analyzed by using a new data enhancement procedure-the construction of relative absorption band-depth (RBD) images. RBD images, like bandratio images, are designed to detect diagnostic mineral absorption features, while minimizing reflectance variations related to topographic slope and albedo differences. To produce an RBD image, several data channels near an absorption band shoulder are summed and then divided by the sum of several channels located near the band minimum. RBD images are both highly specific and sensitive to the presence of particular mineral absorption features. Further, the technique does not distort or subdue spectral features as sometimes occurs when using other data normalization methods. By using RBD images, a number of rock and soil units were distinguished in the Ruby Mountains including weathered quartz - feldspar pegmatites, marbles of several compositions, and soils developed over poorly exposed mica schists. The RBD technique is especially well suited for detecting weak near-infrared spectral features produced by soils, which may permit improved mapping of subtle lithologic and structural details in semiarid terrains. The observation of soils rich in talc, an important industrial commodity in the study area, also indicates that RBD images may be useful for mineral exploration. ?? 1989.

  3. AKARI observations of ice absorption bands towards edge-on YSOs

    NASA Astrophysics Data System (ADS)

    Aikawa, Y.; Kamuro, D.; Sakon, I.; Itoh, Y.; Noble, J. A.; Pontoppidan, K. M., Fraser, H. J.; Terada, H.; Tamura, M.; Kandori, R.; Kawamura, A.; Ueno, M.

    2011-05-01

    Circumstellar disks and envelopes of low-mass YSOs contain significant amounts of ice. Such icy material will evolve to volatile components of planetary systems, such as comets in our solar system. In order to investigate the composition and evolution of circumstellar ice around low-mass YSOs, we have observed ice absorption bands towards eight YSOs ranging from class 0 to class II, among which seven are associated with edge-on disks. Slit-less spectroscopic observations are performed using the grism mode of Infrared Camera (IRC) on board AKARI, which enables us to obtain full NIR spectra from 2.5 μm to 5 μm, including the CO_2 band and the blue wing of the H_2O band, which are not accessible from the ground. We developed procedures to reduce the spectra of targets with nebulosity. The spectra are fitted with polynomial baselines to derive the absorption spectra. Then we fit the molecular absorption bands with the laboratory spectra from the database, considering the instrumental line profile and the spectral resolution of the dispersion element. Towards the Class 0-I sources, absorption bands of H_2O, CO_2, CO and XCN (OCN^-) are clearly detected. Weak features of 13CO_2, HDO, the C-H band, and gaseous CO are detected as well. OCS ice absorption is tentatively detected towards IRC-L1041-2. The detected features would mostly originate in the cold envelope, while CO gas and OCN^- could originate in the region close to the protostar. Towards class II stars, H_2O ice band is detected. We also detected H_2O ice, CO_2 ice and tentative CO gas features of the foreground component of class II stars.

  4. Millimeter Wave Absorption Bands of Silver/copper Iodides-Phosphate Glasses

    NASA Astrophysics Data System (ADS)

    Awano, Teruyoshi; Takahashi, Toshiharu

    2013-07-01

    Millimeter wave absorption spectra of silver halides doped silver phosphate glasses were measured using an intense coherent transition radiation. Two bands were observed at 8.4cm-1 and 6.3cm-1 in AgI doped AgPO3 glass and 8.7cm-1 and 6.1cm-1 in AgBr doped one. Small difference of peak positions between these glasses suggests that these absorption bands are concerned with a large number of silver ions in dopant molecules. Cu+ conducting glasses

  5. Suppression of thermal carrier escape and efficient photo-carrier generation by two-step photon absorption in InAs quantum dot intermediate-band solar cells using a dot-in-well structure

    SciTech Connect

    Asahi, S.; Teranishi, H.; Kasamatsu, N.; Kada, T.; Kaizu, T.; Kita, T.

    2014-08-14

    We investigated the effects of an increase in the barrier height on the enhancement of the efficiency of two-step photo-excitation in InAs quantum dot (QD) solar cells with a dot-in-well structure. Thermal carrier escape of electrons pumped in QD states was drastically reduced by sandwiching InAs/GaAs QDs with a high potential barrier of Al{sub 0.3}Ga{sub 0.7}As. The thermal activation energy increased with the introduction of the barrier. The high potential barrier caused suppression of thermal carrier escape and helped realize a high electron density in the QD states. We observed efficient two-step photon absorption as a result of the high occupancy of the QD states at room temperature.

  6. Effects of backlight structure on absorption experiments

    SciTech Connect

    Iglesias, C A

    2004-11-08

    The impact of spectral details in the backlight of absorption spectroscopy experiments is considered. It is shown that experimentally unresolved structure in the backlight spectrum can introduce significant errors in the inferred transmission. Furthermore, it is shown that a valuable experimental procedure previously used to test the accuracy of the data fails to reveal these errors.

  7. Broadening of absorption band by coupled gap plasmon resonances in a near-infrared metamaterial absorber

    NASA Astrophysics Data System (ADS)

    Cong, Jiawei; Yao, Hongbing; Gong, Daolei; Chen, Mingyang; Tong, Yanqun; Fu, Yonghong; Ren, Naifei

    2016-07-01

    We propose a strategy to broaden the absorption band of the conventional metamaterial absorber by incorporating alternating metal/dielectric films. Up to 7-fold increase in bandwidth and ∼95% average absorption are achieved arising from the coupling of induced multiple gap plasmon resonances. The resonance coupling is analytically demonstrated using the coupled oscillator model, which reveals that both the optimal coupling strength and the resonance wavelength matching are required for the enhancement of absorption bandwidth. The presented multilayer design is easily fabricated and readily implanted to other absorber configurations, offering a practical avenue for applications in photovoltaic cells and thermal emitters.

  8. High sensitivity ultra-broad-band absorption spectroscopy of inductively coupled chlorine plasma

    NASA Astrophysics Data System (ADS)

    Marinov, Daniil; Foucher, Mickaël; Campbell, Ewen; Brouard, Mark; Chabert, Pascal; Booth, Jean-Paul

    2016-06-01

    We propose a method to measure the densities of vibrationally excited Cl2(v) molecules in levels up to v  =  3 in pure chlorine inductively coupled plasmas (ICPs). The absorption continuum of Cl2 in the 250–450 nm spectral range is deconvoluted into the individual components originating from the different vibrational levels of the ground state, using a set of ab initio absorption cross sections. It is shown that gas heating at constant pressure is the major depletion mechanism of the Cl2 feedstock in the plasma. In these line-integrated absorption measurements, the absorption by the hot (and therefore rarefied) Cl2 gas in the reactor centre is masked by the cooler (and therefore denser) Cl2 near the walls. These radial gradients in temperature and density make it difficult to assess the degree of vibrational excitation in the centre of the reactor. The observed line-averaged vibrational distributions, when analyzed taking into account the radial temperature gradient, suggest that vibrational and translational degrees of freedom in the plasma are close to local equilibrium. This can be explained by efficient vibrational-translational (VT) relaxation between Cl2 and Cl atoms. Besides the Cl2(v) absorption band, a weak continuum absorption is observed at shorter wavelengths, and is attributed to photodetachment of Cl‑ negative ions. Thus, line-integrated densities of negative ions in chlorine plasmas can be directly measured using broad-band absorption spectroscopy.

  9. Diversity in the Visible-NIR Absorption Band Characteristics of Lunar and Asteroidal Plagioclase

    NASA Technical Reports Server (NTRS)

    Hiroi, T.; Kaiden, H.; Misawa, K.; Kojima, H.; Uemoto, K.; Ohtake, M.; Arai, T.; Sasaki, S.; Takeda, H.; Nyquist, L. E.; Shih, C.-Y.

    2012-01-01

    Studying the visible and near-infrared (VNIR) spectral properties of plagioclase has been challenging because of the difficulty in obtaining good plagioclase separates from pristine planetary materials such as meteorites and returned lunar samples. After an early study indicated that the 1.25 m band position of plagioclase spectrum might be correlated with the molar percentage of anorthite (An#) [1], there have been few studies which dealt with the band center behavior. In this study, the VNIR absorption band parameters of plagioclase samples have been derived using the modified Gaussian model (MGM) [2] following a pioneering study by [3].

  10. Complex banded structures in directional solidification processes.

    PubMed

    Korzhenevskii, A L; Rozas, R E; Horbach, J

    2016-01-27

    A combination of theory and numerical simulation is used to investigate impurity superstructures that form in rapid directional solidification (RDS) processes in the presence of a temperature gradient and a pulling velocity with an oscillatory component. Based on a capillary wave model, we show that the RDS processes are associated with a rich morphology of banded structures, including frequency locking and the transition to chaos. PMID:26704726

  11. Enhanced absorption in silicon metamaterials waveguide structure

    NASA Astrophysics Data System (ADS)

    Hamouche, Houria; Shabat, Mohammed M.

    2016-07-01

    Metamaterial waveguide structures for silicon solar cells are a novel approach to antireflection coating structures that can be used for the achievement of high absorption in silicon solar cells. This paper investigates numerically the possibility of improving the performance of a planar waveguide silicon solar cell by incorporating a pair of silicon nitride/metamaterial layer between a semi-infinite glass cover layer and a semi-infinite silicon substrate layer. The optimized layer thicknesses of the pair are determined under the solar spectrum AM1.5 by the effective average reflectance method. The transmission and reflection coefficients are derived by the transfer matrix method for values of metamaterial's refractive index in visible and near-infrared radiation. In addition, the absorption coefficient is examined for several angles of incidence of the transverse electric polarized (TE), transverse magnetic polarized (TM) and the total (TE&TM) guided waves. Numerical results provide an extremely high absorption. The absorptivity of the structure achieves greater than 98 %.

  12. Magnon band structure of periodic composites

    NASA Astrophysics Data System (ADS)

    Vasseur, J. O.; Dobrzynski, L.; Djafari-Rouhani, B.; Puszkarski, H.

    1996-07-01

    innodata J. O. VASSEUR et al. MAGNON BAND STRUCTURE OF PERIODIC COMPOSITES We calculate the spin-wave spectra of two-dimensional composite materials consisting of periodic square arrays of parallel cylinders made of a ferromagnetic material embedded in a ferromagnetic background. Each material is described by its spontaneous magnetization MS and exchange constant A. An external static magnetic field is applied along the direction of the cylinders and both ferromagnetic materials are assumed to be magnetized parallel to this magnetic field. We consider the spin-waves propagation in the plane perpendicular to the cylinders. We reveal the existence of gaps in the magnon band structure of composite systems such as the periodic array of Fe cylinders in an EuO matrix. We investigate the existence of these gaps in relation to the physical parameters of the materials involved. We also study the influence of the lattice parameter (i.e., the square array periodicity) and the effect of the filling fraction of the cylinders on the magnon band structure.

  13. Infrared band absorptance correlations and applications to nongray radiation. [mathematical models of absorption spectra for nongray atmospheres in order to study air pollution

    NASA Technical Reports Server (NTRS)

    Tiwari, S. N.; Manian, S. V. S.

    1976-01-01

    Various mathematical models for infrared radiation absorption spectra for atmospheric gases are reviewed, and continuous correlations for the total absorptance of a wide band are presented. Different band absorptance correlations were employed in two physically realistic problems (radiative transfer in gases with internal heat source, and heat transfer in laminar flow of absorbing-emitting gases between parallel plates) to study their influence on final radiative transfer results. This information will be applied to the study of atmospheric pollutants by infrared radiation measurement.

  14. The band-gap enhanced photovoltaic structure

    NASA Astrophysics Data System (ADS)

    Tessler, Nir

    2016-05-01

    We critically examine the recently suggested structure that was postulated to potentially add 50% to the photo-conversion efficiency of organic solar cells. We find that the structure could be realized using stepwise increase in the gap as long as the steps are not above 0.1 eV. We also show that the charge extraction is not compromised due to an interplay between the contact's space charge and the energy level modification, which result in a flat energy band at the extracting contact.

  15. Laboratory Measurements of the 940, 1130, and 1370 nm Water Vapor Absorption Band Profiles

    NASA Technical Reports Server (NTRS)

    Giver, Lawrence P.; Gore, Warren J.; Pilewskie, P.; Freedman, R. S.; Chackerian, C., Jr.; Varanasi, P.

    2001-01-01

    We have used the solar spectral flux radiometer (SSFR) flight instrument with the Ames 25 meter base-path White cell to obtain about 20 moderate resolution (8 nm) pure water vapor spectra from 650 to 1650 nm, with absorbing paths from 806 to 1506 meters and pressures up to 14 torr. We also obtained a set at 806 meters with several different air-broadening pressures. Model simulations were made for the 940, 1130, and 1370 nm absorption bands for some of these laboratory conditions using the Rothman, et al HITRAN-2000 linelist. This new compilation of HITRAN includes new intensity measurements for the 940 nm region. We compared simulations for our spectra of this band using HITRAN-2000 with simulations using the prior HITRAN-1996. The simulations of the 1130 nm band show about 10% less absorption than we measured. There is some evidence that the total intensity of this band is about 38% stronger than the sum of the HITRAN line intensities in this region. In our laboratory conditions the absorption depends approximately on the square root of the intensity. Thus, our measurements agree that the band is stronger than tabulated in HITRAN, but by about 20%, substantially less than the published value. Significant differences have been shown between Doppler-limited resolution spectra of the 1370 nm band obtained at the Pacific Northwest National Laboratory and HITRAN simulations. Additional new intensity measurements in this region are continuing to be made. We expect the simulations of our SSFR lab data of this band will show the relative importance of improving the HITRAN line intensities of this band for atmospheric measurements.

  16. Band-integrated infrared absorptance of low-molecular-weight paraffin hydrocarbons at high temperatures.

    PubMed

    Fuss, S P; Hall, M J; Ezekoye, O A

    1999-05-01

    The spectral absorptance of the 3.4-microm band of methane, ethane, propane, and butane has been measured with a Fourier transform infrared spectrometer over a range of temperatures from 296 to 900 K. The measurements were made at a 4-cm(-1) resolution and integrated over the entire band to give the total absorptance. The total absorptance is found to behave in such a way that it can be correlated by a combination of algebraic expressions that depend on the gas temperature and concentration. Average discrepancies between the correlations and the measurements are less than 4%, with maximum differences of no greater than 17%. In addition, the correlations presented here for methane are shown to be in good agreement with established models. Expressions given for the integrated intensity of each gas show an inverse dependence on temperature, reflecting the associated change in density. PMID:18319871

  17. Effect of Sn on the optical band gap determined using absorption spectrum fitting method

    SciTech Connect

    Heera, Pawan; Kumar, Anup; Sharma, Raman

    2015-05-15

    We report the preparation and the optical studies on tellurium rich glasses thin films. The thin films of Se{sub 30}Te{sub 70-x} Sn{sub x} system for x= 0, 1.5, 2.5 and 4.5 glassy alloys prepared by melt quenching technique are deposited on the glass substrate using vacuum thermal evaporation technique. The analysis of absorption spectra in the spectral range 400nm–4000 nm at room temperature obtained from UV-VIS-NIR spectrophotometer [Perkin Elmer Lamda-750] helps us in the optical characterization of the thin films under study. The absorption spectrum fitting method is applied by using the Tauc’s model for estimating the optical band gap and the width of the band tail of the thin films. The optical band gap is calculated and is found to decrease with the Sn content.

  18. Band structure of doubly-odd nuclei around mass 130

    SciTech Connect

    Higashiyama, Koji; Yoshinaga, Naotaka

    2011-05-06

    Nuclear structure of the doublet bands in the doubly-odd nuclei with mass A{approx}130 is studied in terms of a pair-truncated shell model. The model reproduces quite well the energy levels of the doublet bands and the electromagnetic transitions. The analysis of the electromagnetic transitions reveals new band structure of the doublet bands.

  19. AKARI observations of ice absorption bands towards edge-on young stellar objects

    NASA Astrophysics Data System (ADS)

    Aikawa, Y.; Kamuro, D.; Sakon, I.; Itoh, Y.; Terada, H.; Noble, J. A.; Pontoppidan, K. M.; Fraser, H. J.; Tamura, M.; Kandori, R.; Kawamura, A.; Ueno, M.

    2012-02-01

    Context. Circumstellar disks and envelopes of low-mass young stellar objects (YSOs) contain significant amounts of ice. Such icy material will evolve to become volatile components of planetary systems, such as comets in our solar system. Aims: To investigate the composition and evolution of circumstellar ice around low-mass young stellar objects (YSOs), we observed ice absorption bands in the near infrared (NIR) towards eight YSOs ranging from class 0 to class II, among which seven are associated with edge-on disks. Methods: We performed slit-less spectroscopic observations using the grism mode of the InfraRed Camera (IRC) on board AKARI, which enables us to obtain full NIR spectra from 2.5 μm to 5 μm, including the CO2 band and the blue wing of the H2O band, which are inaccessible from the ground. We developed procedures to carefully process the spectra of targets with nebulosity. The spectra were fitted with polynomial baselines to derive the absorption spectra. The molecular absorption bands were then fitted with the laboratory database of ice absorption bands, considering the instrumental line profile and the spectral resolution of the grism dispersion element. Results: Towards the class 0-I sources (L1527, IRC-L1041-2, and IRAS 04302), absorption bands of H2O, CO2, CO, and XCN are clearly detected. Column density ratios of CO2 ice and CO ice relative to H2O ice are 21-28% and 13-46%, respectively. If XCN is OCN-, its column density is as high as 2-6% relative to H2O ice. The HDO ice feature at 4.1 μm is tentatively detected towards the class 0-I sources and HV Tau. Non-detections of the CH-stretching mode features around 3.5 μm provide upper limits to the CH3OH abundance of 26% (L1527) and 42% (IRAS 04302) relative to H2O. We tentatively detect OCS ice absorption towards IRC-L1041-2. Towards class 0-I sources, the detected features should mostly originate in the cold envelope, while CO gas and OCN- could originate in the region close to the protostar

  20. Radiation absorption by the C2 band systems for Jupiter entry conditions

    NASA Technical Reports Server (NTRS)

    Sutton, K.; Moss, J. N.

    1979-01-01

    Revised values of the absorption cross sections for seven electronic band systems of C2 have been calculated using recently published experimental data for the electronic transition moments. Using these revised C2 cross section values, computations were made for the radiating flow field over a Jupiter entry probe with coupled ablation injection from a carbon-phenolic heat shield. Results are presented which show that radiation absorption within the ablation layer for the spectral range of 4 to 6 eV is less than that predicted using previous C2 absorption cross section values. The effect of the reduced radiation absorption by the C2 molecule is an increase in the radiative heating rates and ablation mass loss rates for the Jupiter entry conditions considered in the study.

  1. Novel Cross-Band Relative Absorption (CoBRA) technique For Measuring Atmospheric Species

    NASA Astrophysics Data System (ADS)

    Prasad, N. S.; Pliutau, D.

    2013-12-01

    We describe a methodology called Cross-Band Relative Absorption (CoBRA) we have implemented to significantly reduce interferences due to variations in atmospheric temperature and pressure in molecular mixing ration measurements [1-4]. The interference reduction is achieved through automatic compensation based on selecting spectral line pairs exhibiting similar evolution behavior under varying atmospheric conditions. The method is applicable to a wide range of molecules including CO2 and CH4 which can be matched with O2 or any other well-mixed atmospheric molecule. Such matching results in automatic simultaneous adjustments of the spectral line shapes at all times with a high precision under varying atmospheric conditions of temperature and pressure. We present the results of our selected CoBRA analysis based on line-by-line calculations and the Modern Era Retrospective Analysis for Research and Applications (MERRA) dataset including more recent evaluation of the error contributions due to water vapor interference effects. References: 1) N. S. Prasad, D. Pliutau, 'Cross-band relative absorption technique for the measurement of molecular mixing ratios.', Optics Express, Vol. 21, Issue 11, pp. 13279-13292 (2013) 2) D. Pliutau and N. S. Prasad, "Cross-band Relative Absorption Technique for Molecular Mixing Ratio Determination," in CLEO: 2013, OSA Technical Digest (online) (Optical Society of America, 2013), paper CW3L.4. 3) Denis Pliutau; Narasimha S. Prasad; 'Semi-empirical validation of the cross-band relative absorption technique for the measurement of molecular mixing ratios',.Proc. SPIE 8731, Laser Radar Technology and Applications XVIII, 87310L (May 20, 2013); doi:10.1117/12.2016661. 4) Denis Pliutau,; Narasimha S. Prasad; 'Comparative analysis of alternative spectral bands of CO2 and O2 for the sensing of CO2 mixing ratios' Proc. SPIE 8718, Advanced Environmental, Chemical, and Biological Sensing Technologies X, 87180L (May 31, 2013); doi:10.1117/12.2016337.

  2. Assignment and rotational analysis of new absorption bands of carbon dioxide isotopologues in Venus spectra

    NASA Astrophysics Data System (ADS)

    Robert, S.; Borkov, Yu. G.; Vander Auwera, J.; Drummond, R.; Mahieux, A.; Wilquet, V.; Vandaele, A. C.; Perevalov, V. I.; Tashkun, S. A.; Bertaux, J. L.

    2013-01-01

    We present absorption bands of carbon dioxide isotopologues, detected by the Solar Occultation for the Infrared Range (SOIR) instrument on board the Venus Express Satellite. The SOIR instrument combines an echelle spectrometer and an Acousto-Optical Tunable Filter (AOTF) for order selection. It performs solar occultation measurements in the Venus atmosphere in the IR region (2.2-4.3 μm), at a resolution of 0.12-0.18 cm-1. The wavelength range probed by SOIR allows a detailed chemical inventory of the Venus atmosphere above the cloud layer (65-150 km) to be made with emphasis on the vertical distributions of gases. Thanks to the SOIR spectral resolution, a new CO2 absorption band was identified: the 21101-01101 band of 16O12C18O with R branch up to J=31. Two other previously reported bands were observed dispelling any doubts about their identifications: the 20001-00001 band of 16O13C18O [Villanueva G, et al. J Quant Spectrosc Radiat Transfer 2008;109:883-894] and the 01111-00001 band of 16O12C18O [Villanueva G, et al. J Quant Spectrosc Radiat Transfer 2008;109:883-894 and Wilquet V, et al. J Quant Spectrosc Radiat Transfer 2008;109:895-905]. These bands were analyzed, and spectroscopic constants characterizing them were obtained. The rotational assignment of the 20001-00001 band was corrected. The present measurements are compared with data available in the HITRAN database.

  3. Impurity Sub-Band in Heavily Cu-Doped InAs Nanocrystal Quantum Dots Detected by Ultrafast Transient Absorption.

    PubMed

    Yang, Chunfan; Faust, Adam; Amit, Yorai; Gdor, Itay; Banin, Uri; Ruhman, Sanford

    2016-05-19

    The effect of Cu impurities on the absorption cross section, the rate of hot exction thermalization, and on exciton recombination processes in InAs quantum dots was studied by femtosecond transient absorption. Our findings reveal dynamic spectral effects of an emergent impurity sub-band near the bottom of the conduction band. Previously hypothesized to explain static photophysical properties of this system, its presence is shown to shorten hot carrier relaxation. Partial redistribution of interband oscillator strength to sub-band levels reduces the band edge bleach per exciton progressively with the degree of doping, even though the total linear absorption cross section at the band edge remains unchanged. In contrast, no doping effects were detected on absorption cross sections high in the conduction band, as expected due to the relatively high density of sates of the undoped QDs. PMID:26720008

  4. Two-photon absorption cross section measurement in the gamma band system of nitric oxide

    SciTech Connect

    Burris, J.F. Jr.

    1982-01-01

    A dye laser with a single longitudinal mode and very stable spatial mode structure has been constructed. With this laser system a four-wave mixing experiment was done in the gamma bands of nitric oxide using two photon resonance. Another four-wave mixing experiment was done in nitrogen using coherent anti-Stokes Raman scattering (CARS) and the two signals ratioed. Using accurately known values of the Raman scattering cross section, the third order susceptibility in NO was determined without needing to know the spatial and temporal properties of the dye lasers. From this susceptibility, the two photon absorption cross section was calculated with the explicit dependence of sigma/sup (2)/ upon X/sup (3)/ shown. For the R/sub 22/ + S/sub 12/(J'' = 9 1/2) (A/sup 2/..sigma..+(v' = 0) -- X/sup 2/..pi..(v'' = 0)) line, sigma/sup (2)/ = (1.0 +/- 0.6) x 10/sup -38/cm/sup 4/g(2/sub 1/-Vertical Barsub f/ is the normalized lineshape. Branching ratios for the A/sup 2/..sigma..+(v' = n) ..-->.. X/sup 2/..omega..(v'' = n)(n = o,...9) transitions of NO were also measured, Franck-Condon factors calculated and the lifetime of the A state determined.

  5. An alternative model for photodynamic therapy of cancers: Hot-band absorption

    NASA Astrophysics Data System (ADS)

    Wang, Jing; Chen, Jiyao

    2013-12-01

    The sulfonated aluminum phthalocyanine (AlPcS), a photosensitizer for photodynamic cancer therapy (PDT), has an absorption tail in the near-infrared region (700-900 nm) which is so-called hot band absorption (HBA). With the HBA of 800 nm, the up-conversion excitation of AlPcS was achieved followed by the anti-Stocks emission (688 nm band) and singlet oxygen production. The HBA PDT of AlPcS seriously damaged the KB and HeLa cancer cells, with a typical light dose dependent mode. Particularly, the in vitro experiments with the AlPcS shielding solutions further showed that the HBA PDT can overcome a self-shielding effect benefiting the PDT applications.

  6. Collisional Induced Absorption (CIA) bands measured in the IR spectral range .

    NASA Astrophysics Data System (ADS)

    Stefani, S.; Piccioni, G.; Snels, M.; Adriani, A.; Grassi, D.

    In this work we present two experimental setup able to characterize the optical properties of gases, in particular CO_2 and H_2, at typically planetary conditions. The apparatus consists of a Fourier Transform InfraRed (FT-IT) interferometer able to work in a wide spectral range, from 350 to 25000 cm-1 (0.4 to 29 mu m ) with a relatively high spectral resolution, from 10 to 0.07 cm-1. Two dedicated gas cells have been integrated with the FT-IR. The first, called High Pressure High Temperature (HP-HT), can support pressures up to 300 bar, temperatures up to 300oC and is characterized by an optical path of 2 cm. The second one, a Multi Pass (MP) absorption gas cell, is designed to have a variable optical path, from 2.5 to 30 m, can be heated up to 200o and operate at pressures up to 10 bar. In this paper, measurements of Collision-Induced Absorption (CIA) bands in carbon dioxide and hydrogen recorded in the InfraRed spectral range will be presented. In principle, linear symmetric molecules such as CO_2 and H_2 possess no dipole moment, but, even when the pressure is only a few bar, we have observed the Collisional Induced Absorption (CIA) bands. This absorption results from a short-time collisional interaction between molecules. The band integrated intensity shows a quadratic dependence versus density opposed to the absorption by isolated molecules, which follows Beer's law \\citep{Beer's}. This behaviour suggests an absorption by pairs rather than by individual molecules. The bands integrated intensities show a linear dependence vs square density according to \\citep {CIA Shape} and \\citep{CIA posi}. For what concerns the H_2 CIA bands, a preliminary comparison between simulated data obtained with the model described in \\citep{CIA H2}and measured, shows a good agreement. These processes are very relevant in the dense atmospheres of planets, such as those of Venus and Jupiter and also in extrasolar planets. A detailed knowledge of these contributions is very

  7. Surface Enhance Infrared Absorption in nanogap structures

    NASA Astrophysics Data System (ADS)

    Li, Yajing; Zolotavin, Pavlo; Natelson, Douglas

    Understanding the energy dissipation at the interface of molecules and metal nanostructures is of interest. We fabricate self-aligned gold nanostructures with nanometer-scale interelectrode spacing. Those gold nanostructures support highly hybridized plasmon modes with great enhanced local electric field. Previous studies have proven those structures to be suitable substrates for surface-enhanced Raman spectroscopy with single-molecule sensitivity, which enables the study of molecular vibrational and electronic physics. We propose those structures as possible probes of the energy dissipation at the nanometer gap. By measuring the absorption spectrum of molecules assembled in the junction, we can estimate the local filed intensity at the gap and discuss the plasmonic responses of these self-aligned structures under infrared excitation.

  8. Elucidating the stop bands of structurally colored systems through recursion

    NASA Astrophysics Data System (ADS)

    Amir, Ariel; Vukusic, Peter

    2013-04-01

    Interference is the source of some of the spectacular colors of animals and plants in nature. In some of these systems, the physical structure consists of an ordered array of layers with alternating high and low refractive indices. This periodicity leads to an optical band structure that is analogous to the electronic band structure encountered in semiconductor physics: specific bands of wavelengths (the stop bands) are perfectly reflected. Here, we present a minimal model for optical band structure in a periodic multilayer structure and solve it using recursion relations. The stop bands emerge in the limit of an infinite number of layers by finding the fixed point of the recursion. We compare to experimental data for various beetles, whose optical structure resembles the proposed model. Thus, using only the phenomenon of interference and the idea of recursion, we are able to elucidate the concept of band structure in the context of the experimentally observed high reflectance and iridescent appearance of structurally colored beetles.

  9. Rotational Band Structure in 32Mg

    NASA Astrophysics Data System (ADS)

    Crawford, Heather; NSCL E11029 Collaboration Team

    2016-03-01

    There is significant evidence supporting the existence of deformed ground states within the neutron-rich N =20 neon, sodium, and magnesium isotopes that make up what is commonly called the ``Island of Inversion''. However, rotational band structures, a characteristic fingerprint of a rigid non-spherical shape, have yet to be observed. We report on a measurement and analysis of the yrast (lowest lying) rotational band in 32Mg up to spin I = 6+, produced in a two-step projectile fragmentation reaction and observed using the state-of-the-art γ-ray tracking detector array, GRETINA. Large-scale shell model calculations using the SDPF-U-MIX effective interaction show excellent agreement with the new data. Moreover, a theoretical analysis of the spectrum of rotational states as a function of the pairing gap, together with cranked shell model calculations, provides intriguing evidence for a reduction in pairing correlations with increased angular momentum, also in line with the shell-model results. This material is based upon work supported by the U.S. DOE, Office of Science, NP Office under Contract No. DE-AC02-05CH11231 (LBNL). GRETINA was funded by the U.S. DOE Office of Science. Operation of the array at NSCL was supported by NSF.

  10. Rotational band structure in 32Mg

    NASA Astrophysics Data System (ADS)

    Crawford, H. L.; Fallon, P.; Macchiavelli, A. O.; Poves, A.; Bader, V. M.; Bazin, D.; Bowry, M.; Campbell, C. M.; Carpenter, M. P.; Clark, R. M.; Cromaz, M.; Gade, A.; Ideguchi, E.; Iwasaki, H.; Langer, C.; Lee, I. Y.; Loelius, C.; Lunderberg, E.; Morse, C.; Richard, A. L.; Rissanen, J.; Smalley, D.; Stroberg, S. R.; Weisshaar, D.; Whitmore, K.; Wiens, A.; Williams, S. J.; Wimmer, K.; Yamamato, T.

    2016-03-01

    There is significant evidence supporting the existence of deformed ground states within the neutron-rich N ≈20 neon, sodium, and magnesium isotopes that make up what is commonly called the "island of inversion." However, the rotational band structures, which are a characteristic fingerprint of a rigid nonspherical shape, have yet to be observed. In this work, we report on a measurement and analysis of the yrast (lowest lying) rotational band in 32Mg up to spin I =6+ produced in a two-step projectile fragmentation reaction and observed using the state-of-the-art γ -ray tracking detector array, GRETINA (γ -ray energy tracking in-beam nuclear array). Large-scale shell-model calculations using the SDPF-U-MIX effective interaction show excellent agreement with the new data. Moreover, a theoretical analysis of the spectrum of rotational states as a function of the pairing gap, together with cranked-shell-model calculations, provides intriguing evidence for a reduction in pairing correlations with increased angular momentum, also in line with the shell-model results.

  11. Analysis of the 4800-Å absorption band of Cs 2 by the classical method

    NASA Astrophysics Data System (ADS)

    Tellinghuisen, Joel; Moeller, Michael B.

    1980-09-01

    The broad absorption band in Cs 2 having peak intensity near 4800 Å is analyzed through computational simulation of the experimental spectrum using the classical method. The absorption, which terminates in a weak satellite at 5223 Å, can be interpreted in terms of a single transition from the ground state ( Re = 4.65 Å, ω e = 42 cm -1) to an upper state having Te = 20 470 cm -1, ω e = 33 cm -1 and Re = 5.28 Å. The absolute absorption strength is roughly consistent with published lifetime data, but its reliability is limited by thermodynamic uncertainties stemming from the remaining uncertainty in the Cs 2 ground state dissociation enegy. The paper includes a summary of diatomic radiation relations pertinent to the analysis of low-resolution spectra, and a brief discussion of the reduced potential method applied to the alkali dimer ground states.

  12. Segmental structure in banded mongoose calls.

    PubMed

    Fitch, W Tecumseh

    2012-01-01

    In complex animal vocalizations, such as bird or whale song, a great variety of songs can be produced via rearrangements of a smaller set of 'syllables', known as 'phonological syntax' or 'phonocoding' However, food or alarm calls, which function as referential signals, were previously thought to lack such combinatorial structure. A new study of calls in the banded mongoose Mungos mungo provides the first evidence of phonocoding at the level of single calls. The first portion of the call provides cues to the identity of the caller, and the second part encodes its current activity. This provides the first example known in animals of something akin to the consonants and vowels of human speech. PMID:23206277

  13. Segmental structure in banded mongoose calls

    PubMed Central

    2012-01-01

    In complex animal vocalizations, such as bird or whale song, a great variety of songs can be produced via rearrangements of a smaller set of 'syllables', known as 'phonological syntax' or 'phonocoding' However, food or alarm calls, which function as referential signals, were previously thought to lack such combinatorial structure. A new study of calls in the banded mongoose Mungos mungo provides the first evidence of phonocoding at the level of single calls. The first portion of the call provides cues to the identity of the caller, and the second part encodes its current activity. This provides the first example known in animals of something akin to the consonants and vowels of human speech. See research article http://www.biomedcentral.com/1741-7007/10/97 PMID:23206277

  14. Mapping atomic and diffuse interstellar band absorption across the Magellanic Clouds and the Milky Way

    NASA Astrophysics Data System (ADS)

    Bailey, Mandy; van Loon, Jacco Th.; Sarre, Peter J.; Beckman, John E.

    2015-12-01

    Diffuse interstellar bands (DIBs) trace warm neutral and weakly ionized diffuse interstellar medium (ISM). Here we present a dedicated, high signal-to-noise spectroscopic survey of two of the strongest DIBs, at 5780 and 5797 Å, in optical spectra of 666 early-type stars in the Small and Large Magellanic Clouds, along with measurements of the atomic Na I D and Ca II K lines. The resulting maps show for the first time the distribution of DIB carriers across large swathes of galaxies, as well as the foreground Milky Way ISM. We confirm the association of the 5797 Å DIB with neutral gas, and the 5780 Å DIB with more translucent gas, generally tracing the star-forming regions within the Magellanic Clouds. Likewise, the Na I D line traces the denser ISM whereas the Ca II K line traces the more diffuse, warmer gas. The Ca II K line has an additional component at ˜200-220 km s-1 seen towards both Magellanic Clouds; this may be associated with a pan-Magellanic halo. Both the atomic lines and DIBs show sub-pc-scale structure in the Galactic foreground absorption; the 5780 and 5797 Å DIBs show very little correlation on these small scales, as do the Ca II K and Na I D lines. This suggests that good correlations between the 5780 and 5797 Å DIBs, or between Ca II K and Na I D, arise from the superposition of multiple interstellar structures. Similarity in behaviour between DIBs and Na I in the Small Magellanic Cloud (SMC), Large Magellanic Cloud (LMC) and Milky Way suggests the abundance of DIB carriers scales in proportion to metallicity.

  15. Omnidirectional polarization insensitive tunable absorption in graphene metamaterial of nanodisk structure

    NASA Astrophysics Data System (ADS)

    Ning, Renxia; Bao, Jie; Jiao, Zheng; Xu, Yuan

    2015-11-01

    Tunable absorption based on graphene metamaterial with nanodisk structure at near-infrared frequency was investigated using the finite difference time domain method. The absorption of the nanodisk structure which consisting of Au-MgF2-graphene-Au-polyimide (from bottom to top) can be tuned by the chemical potential of graphene at certain diameter of nanodisk. The permittivity of graphene is discussed with different chemical potential to obtain tunable absorption. It is shown that the increased value of the chemical potential of graphene can lead to blue-shifted of the absorption peaks and the values decreased. Moreover, dual-band and triple-band absorption can be achieved for resonance frequencies at normal incidence. Compared with diameter of nanodisks, the multilayer structure shows multi-band absorber, and an omnidirectional absorption at 195.25 THz is insensitive to TE/TM polarization. This omnidirectional polarization insensitive absorption may be applied by optical communications such as optical absorber, near infrared stealth, and filter.

  16. A Theoretical Structure of High School Concert Band Performance

    ERIC Educational Resources Information Center

    Bergee, Martin J.

    2015-01-01

    This study used exploratory (EFA) and confirmatory factor analysis (CFA) to verify a theoretical structure for high school concert band performance and to test that structure for viability, generality, and invariance. A total of 101 university students enrolled in two different bands rated two high school band performances (a "first"…

  17. 5 CFR 9701.321 - Structure of bands.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 5 Administrative Personnel 3 2012-01-01 2012-01-01 false Structure of bands. 9701.321 Section 9701.321 Administrative Personnel DEPARTMENT OF HOMELAND SECURITY HUMAN RESOURCES MANAGEMENT SYSTEM... Structure of bands. (a) DHS may, after coordination with OPM, establish ranges of basic pay for bands,...

  18. Sensitivity analysis of oxygen absorption lines in the 1.26-1.27 micron spectral band

    NASA Astrophysics Data System (ADS)

    Edwards, W. C.; Prasad, N.; Browell, E. V.

    2009-12-01

    In the Decadal Survey prepared by the National Research Council (Reference: Earth Science and Applications from Space: National Imperatives for the Next Decade and Beyond), the ASCENDS mission (Active Sensing of CO2 Emissions over Nights, Days and Seasons), requires simultaneous laser remote sensing of CO2 and O2 in order to convert CO2 atmospheric concentrations to mixing ratios. As the mission is envisioned, the CO2 mixing ratio needs to be measured to a precision of 0.5 percent of background or better (slightly less than 2 ppm) at 100-km horizontal length scale overland and at 200-km scale over open oceans. While the O2 measurement could be made at 0.765 µm (the oxygen A band), the absorption cross section is substantially higher and the scattering is lower in the 1.26-1.27 µm wavelength band, and as such it is anticipated that better accuracies could be accomplished. Hence, NASA Langley Research Center is developing oxygen lidar technology in the 1.26-1.27 micron band for surface pressure measurements. One or more wavelengths for differential absorption lidar operation have to be carefully chosen to eliminate ambient influences on them. The model optical depth calculation is very sensitive to knowledge of the transmitted wavelengths and to the choice of Voigt input parameters. Uncertainties in atmospheric profiles of temperature, pressure and relative humidity can cause ~0.5 % errors in model optical depths. In order to select candidate wavelengths in the 1.26 micron spectral band, wavelength uncertainties due to temperature and pressure have to be determined. Uncertainties at line center and offset wavelengths have to be known precisely to reduce uncertainties in oxygen concentration measurements from airborne and space based platforms. In this paper, based on HITRAN database and absorption line measurements, we evaluate systematic relative errors and their sources of pressure shift and atmospheric temperature influences for selected O2 lines suitable for

  19. Achieving Higher Energies via Passively Driven X-band Structures

    NASA Astrophysics Data System (ADS)

    Sipahi, Taylan; Sipahi, Nihan; Milton, Stephen; Biedron, Sandra

    2014-03-01

    Due to their higher intrinsic shunt impedance X-band accelerating structures significant gradients with relatively modest input powers, and this can lead to more compact particle accelerators. At the Colorado State University Accelerator Laboratory (CSUAL) we would like to adapt this technology to our 1.3 GHz L-band accelerator system using a passively driven 11.7 GHz traveling wave X-band configuration that capitalizes on the high shunt impedances achievable in X-band accelerating structures in order to increase our overall beam energy in a manner that does not require investment in an expensive, custom, high-power X-band klystron system. Here we provide the design details of the X-band structures that will allow us to achieve our goal of reaching the maximum practical net potential across the X-band accelerating structure while driven solely by the beam from the L-band system.

  20. Signatures of a conical intersection in photofragment distributions and absorption spectra: Photodissociation in the Hartley band of ozone

    SciTech Connect

    Picconi, David; Grebenshchikov, Sergy Yu.

    2014-08-21

    Photodissociation of ozone in the near UV is studied quantum mechanically in two excited electronic states coupled at a conical intersection located outside the Franck-Condon zone. The calculations, performed using recent ab initio PESs, provide an accurate description of the photodissociation dynamics across the Hartley/Huggins absorption bands. The observed photofragment distributions are reproduced in the two electronic dissociation channels. The room temperature absorption spectrum, constructed as a Boltzmann average of many absorption spectra of rotationally excited parent ozone, agrees with experiment in terms of widths and intensities of diffuse structures. The exit channel conical intersection contributes to the coherent broadening of the absorption spectrum and directly affects the product vibrational and translational distributions. The photon energy dependences of these distributions are strikingly different for fragments created along the adiabatic and the diabatic paths through the intersection. They can be used to reverse engineer the most probable geometry of the non-adiabatic transition. The angular distributions, quantified in terms of the anisotropy parameter β, are substantially different in the two channels due to a strong anticorrelation between β and the rotational angular momentum of the fragment O{sub 2}.

  1. Structures and optical absorption of Bi2OS2 and LaOBiS2

    NASA Astrophysics Data System (ADS)

    Miura, Akira; Mizuguchi, Yoshikazu; Takei, Takahiro; Kumada, Nobuhiro; Magome, Eisuke; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Tadanaga, Kiyoharu

    2016-02-01

    The band gaps of isostructural Bi2OS2 and LaOBiS2 were examined using optical absorption and discussed with the band structures calculated based on the crystal structures determined using synchrotron X-ray diffraction. The Bi 6p and S 3p orbitals in the Bi-S plane were computationally predicted to constitute the bands near the Fermi level. The optical reflectance spectra of Bi2OS2 and LaOBiS2 showed optical band gaps of ~1.0 eV, which were close to the computationally calculated direct band gaps of ~0.8 eV. Our results show that Bi2OS2 and LaOBiS2 are semiconductors containing direct band gaps of 0.8-1.0 eV, and they are suggested to be candidates for optoelectronic materials in the near-infrared region without highly toxic elements.

  2. Electronic absorption band broadening and surface roughening of phthalocyanine double layers by saturated solvent vapor treatment

    SciTech Connect

    Kim, Jinhyun; Yim, Sanggyu

    2012-10-15

    Variations in the electronic absorption (EA) and surface morphology of three types of phthalocyanine (Pc) thin film systems, i.e. copper phthalocyanine (CuPc) single layer, zinc phthalocyanine (ZnPc) single layer, and ZnPc on CuPc (CuPc/ZnPc) double layer film, treated with saturated acetone vapor were investigated. For the treated CuPc single layer film, the surface roughness slightly increased and bundles of nanorods were formed, while the EA varied little. In contrast, for the ZnPc single layer film, the relatively high solubility of ZnPc led to a considerable shift in the absorption bands as well as a large increase in the surface roughness and formation of long and wide nano-beams, indicating a part of the ZnPc molecules dissolved in acetone, which altered their molecular stacking. For the CuPc/ZnPc film, the saturated acetone vapor treatment resulted in morphological changes in mainly the upper ZnPc layer due to the significantly low solubility of the underlying CuPc layer. The treatment also broadened the EA band, which involved a combination of unchanged CuPc and changed ZnPc absorption.

  3. Imaging Breathing Rate in the CO2Absorption Band.

    PubMed

    Fei, Jin; Zhu, Zhen; Pavlidis, Ioannis

    2005-01-01

    Following up on our previous work, we have developed one more non-contact method to measure human breathing rate. We have retrofitted our Mid-Wave Infra-Red (MWIR) imaging system with a narrow band-pass filter in the CO2absorption band (4.3 µm). This improves the contrast between the foreground (i.e., expired air) and background (e.g., wall). Based on the radiation information within the breath flow region, we get the mean dynamic thermal signal. This signal is quasi-periodic due to the interleaving of high and low intensities corresponding to expirations and inspirations respectively. We sample the signal at a constant rate and then determine the breathing frequency through Fourier analysis. We have performed experiments on 9 subjects at distances ranging from 6-8 ft. We compared the breathing rate computed by our novel method with ground-truth measurements obtained via a traditional contact device (PowerLab/4SP from ADInstruments with an abdominal transducer). The results show high correlation between the two modalities. For the first time, we report a Fourier based breathing rate computation method on a MWIR signal in the CO2absorption band. The method opens the way for desktop, unobtrusive monitoring of an important vital sign, that is, breathing rate. It may find widespread applications in preventive medicine as well as sustained physiological monitoring of subjects suffering from chronic ailments. PMID:17282279

  4. Infrared, visible and ultraviolet absorptions of transition metal doped ZnS crystals with spin-polarized bands

    SciTech Connect

    Zhang, J.H.; Ding, J.W.; Cao, J.X.; Zhang, Y.L.

    2011-03-15

    The formation energies, electronic structures and optical properties of TM:ZnS systems (TM=Cr{sup 2+}, Mn{sup 2+}, Fe{sup 2+}, Co{sup 2+} and Ni{sup 2+}) are investigated by using the first principles method. It is found that the wurtzite and zinc-blende structures have about the same stability, and thus can coexist in the TM:ZnS system. From the wurtzite TM:ZnS, especially, a partially filled intermediate band (IB) is obtained at TM=Cr{sup 2+}, Ni{sup 2+} and Fe{sup 2+}, while it is absent at TM=Mn{sup 2+} and Co{sup 2+}. The additional absorptions are obtained in infrared, visible and ultraviolet (UV) regions, due to the completely spin-polarized IB at Fermi level. The results are very helpful for both the designs and applications of TM:ZnS opto-electronics devices, such as solar-cell prototype. -- Graphical abstract: Absorption coefficients of w-TM{sub x}Zn{sub 1-x}S crystals (TM=Cr{sup 2+}, Mn{sup 2+}, Fe{sup 2+}, Co{sup 2+} and Ni{sup 2+}) at x=0.028. The results may be helpful for the design and applications of TM:ZnS devices, especially for the new high efficiency solar-cell prototype, UV detector and UV LEDs. Display Omitted Research highlights: > It is found that the wurtzite and zinc-blende structures can coexist in TM:ZnS. > An intermediate band is obtained in TM:ZnS at TM=Cr{sup 2+}, Ni{sup 2+} and Fe{sup 2+}. > The absorption coefficients are obtained in infrared, visible and ultraviolet regions.

  5. High resolution absorption spectroscopy of the ν1=2-6 acetylenic overtone bands of propyne: Spectroscopy and dynamics

    NASA Astrophysics Data System (ADS)

    Campargue, A.; Biennier, L.; Garnache, A.; Kachanov, A.; Romanini, D.; Herman, M.

    1999-11-01

    The rotationally resolved nν1 (n=2-6) overtone transitions of the CH acetylenic stretching of propyne (CH3-C≡C-H) have been recorded by using Fourier transform spectroscopy (n=2), various intracavity laser absorption spectrometers (n=3, 4, and 6) and cavity ring down spectroscopy (CRDS) (n=5). The 2ν1, 3ν1, and 6ν1 bands exhibit a well-resolved and mostly unperturbed J-rotational structure, whose analysis is reported. The 5ν1 band recorded by pulsed CRDS shows an unresolved rotational envelope. In the region of 12 700 cm-1, an anharmonic interaction is confirmed between 4ν1 and 3ν1+ν3+ν5. The band at a higher wave number in this dyad exhibits a partly resolved K-structure, whose analysis is reported. The mixing coefficient of the two interacting states is determined consistently using different procedures. The 1/35 anharmonic resonance evidenced in the 4ν1 manifold induces weaker intensity borrowing from the 2ν1 and 3ν1 levels to the ν1+ν3+ν5 and 2ν1+ν3+ν5 level, respectively, which have been predicted and identified. Several hot bands around the 2ν1, 3ν1, and 3ν1+ν3+ν5 bands arising from the ν9=1 and ν10=1 and 2 bending levels are identified and rotationally analyzed, also leading to determine x1,9 [-20.3(3) cm-1], x1,10 [-1.7975(75) cm-1], and x3,10 [-6.56 cm-1]. The J-clumps of the P and R branches in the 6ν1 band at 18 499 cm-1 show a Lorentzian homogeneous profile mostly J-independent with an average full width at half maximum (FWHM) of 0.17 cm-1, attributed to arising from the intramolecular vibrational energy redistribution towards the bath of vibrational states. A detailed comparative examination of the fine structure in all investigated nν1 (n=2 to 7) overtone bands and the similar behavior of the cold and hot bands arising from ν10=1 definitively suggests that a highly specific low-order anharmonic coupling, still unidentified, dominates the hierarchy of interaction mechanisms connecting the nν1 levels to the background

  6. Analysis of functional groups in atmospheric aerosols by infrared spectroscopy: sparse methods for statistical selection of relevant absorption bands

    NASA Astrophysics Data System (ADS)

    Takahama, Satoshi; Ruggeri, Giulia; Dillner, Ann M.

    2016-07-01

    Various vibrational modes present in molecular mixtures of laboratory and atmospheric aerosols give rise to complex Fourier transform infrared (FT-IR) absorption spectra. Such spectra can be chemically informative, but they often require sophisticated algorithms for quantitative characterization of aerosol composition. Naïve statistical calibration models developed for quantification employ the full suite of wavenumbers available from a set of spectra, leading to loss of mechanistic interpretation between chemical composition and the resulting changes in absorption patterns that underpin their predictive capability. Using sparse representations of the same set of spectra, alternative calibration models can be built in which only a select group of absorption bands are used to make quantitative prediction of various aerosol properties. Such models are desirable as they allow us to relate predicted properties to their underlying molecular structure. In this work, we present an evaluation of four algorithms for achieving sparsity in FT-IR spectroscopy calibration models. Sparse calibration models exclude unnecessary wavenumbers from infrared spectra during the model building process, permitting identification and evaluation of the most relevant vibrational modes of molecules in complex aerosol mixtures required to make quantitative predictions of various measures of aerosol composition. We study two types of models: one which predicts alcohol COH, carboxylic COH, alkane CH, and carbonyl CO functional group (FG) abundances in ambient samples based on laboratory calibration standards and another which predicts thermal optical reflectance (TOR) organic carbon (OC) and elemental carbon (EC) mass in new ambient samples by direct calibration of infrared spectra to a set of ambient samples reserved for calibration. We describe the development and selection of each calibration model and evaluate the effect of sparsity on prediction performance. Finally, we ascribe

  7. Concentration measurement of NO using self-absorption spectroscopy of the γ band system in a pulsed corona discharge.

    PubMed

    Zhai, Xiaodong; Ding, Yanjun; Peng, Zhimin; Luo, Rui

    2012-07-10

    Nitric oxide (NO) concentrations were measured using the γ band system spectrum based on the strong self-absorption effect of NO in pulsed corona discharges. The radiative transitional intensities of the NO γ band were simulated based on the theory of molecular spectroscopy. The intensities of some bands, especially γ(0,0) and γ(1,0), are weakened by the self-absorption. The correlations between the spectral self-absorption intensities and NO concentration were validated using a modified Beer-Lambert law with a combined factor K relating the branching ratio and the NO concentration, and a nonlinear index α that is applicable to the broadband system. Optical emissive spectra in pulsed corona discharges in NO and N2/He mixtures were used to evaluate the two parameters for various conditions. Good agreement between the experimental and theoretical results verifies the self-absorption behavior seen in the UV spectra of the NO γ bands. PMID:22781235

  8. Ultra-narrow band perfect absorbers based on plasmonic analog of electromagnetically induced absorption.

    PubMed

    He, Jinna; Ding, Pei; Wang, Junqiao; Fan, Chunzhen; Liang, Erjun

    2015-03-01

    A novel plasmonic metamaterial consisting of the solid (bar) and the inverse (slot) compound metallic nanostructure for electromagnetically induced absorption (EIA) is proposed in this paper, which is demonstrated to achieve an ultra-narrow absorption peak with the linewidth less than 8 nm and the absorptivity exceeding 97% at optical frequencies. This is attributed to the plasmonic EIA resonance arising from the efficient coupling between the magnetic response of the slot (dark mode) and the electric resonance of the bar (bright mode). To the best of our knowledge, this is the first time that the plasmonic EIA is used to realize the narrow-band perfect absorbers. The underlying physics are revealed by applying the two-coupled-oscillator model. The near-perfect-absorption resonance also causes an enhancement of about 50 times in H-field and about 130 times in E-field within the slots. Such absorber possesses potential for applications in filter, thermal emitter, surface enhanced Raman scattering, sensing and nonlinear optics. PMID:25836832

  9. Collisional Induced Absorption (CIA) bands of CO2 and H2 measured in the IR spectral range

    NASA Astrophysics Data System (ADS)

    Stefani, S.; Piccioni, G.; Snels, M.; Adriani, A.; Grassi, D.

    2015-10-01

    In this paper we present the results on the Collisional Induced Absorption (CIA) bands of CO2 and H2 measured employing two different experimental setup. Each of them allows us to reproduce typical planetary conditions, at a pressure and temperature from 1 up to 50 bar and from 298 up to 500 K respectively. A detailed study on the temperature dependence of the CO2 CIA absorption bands will be presented.

  10. Study of sub band gap absorption of Sn doped CdSe thin films

    NASA Astrophysics Data System (ADS)

    Kaur, Jagdish; Rani, Mamta; Tripathi, S. K.

    2014-04-01

    The nanocrystalline thin films of Sn doped CdSe at different dopants concentration are prepared by thermal evaporation technique on glass substrate at room temperature. The effect of Sn doping on the optical properties of CdSe has been studied. A decrease in band gap value is observed with increase in Sn concentration. Constant photocurrent method (CPM) is used to study the absorption coefficient in the sub band gap region. Urbach energy has been obtained from CPM spectra which are found to increase with amount of Sn dopants. The refractive index data calculated from transmittance is used for the identification of oscillator strength and oscillator energy using single oscillator model which is found to be 7.7 and 2.12 eV, 6.7 and 2.5 eV for CdSe:Sn 1% and CdSe:Sn 5% respectively.

  11. Study of sub band gap absorption of Sn doped CdSe thin films

    SciTech Connect

    Kaur, Jagdish; Rani, Mamta; Tripathi, S. K.

    2014-04-24

    The nanocrystalline thin films of Sn doped CdSe at different dopants concentration are prepared by thermal evaporation technique on glass substrate at room temperature. The effect of Sn doping on the optical properties of CdSe has been studied. A decrease in band gap value is observed with increase in Sn concentration. Constant photocurrent method (CPM) is used to study the absorption coefficient in the sub band gap region. Urbach energy has been obtained from CPM spectra which are found to increase with amount of Sn dopants. The refractive index data calculated from transmittance is used for the identification of oscillator strength and oscillator energy using single oscillator model which is found to be 7.7 and 2.12 eV, 6.7 and 2.5 eV for CdSe:Sn 1% and CdSe:Sn 5% respectively.

  12. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes

    DOE PAGESBeta

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; Gray, Harry B.; Fujita, Etsuko; Muckerman, James T.; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M.; Field, Martin J.

    2014-08-11

    Here, we report that the reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  13. Thermochromic Absorption, Fluorescence Band Shifts and Dipole Moments of BADAN and ACRYLODAN

    NASA Astrophysics Data System (ADS)

    Kawski, A.; Kukliński, B.; Bojarski, P.

    2002-08-01

    Using the thermochromic shift method of absorption and fluorescence bands, the electric dipole moments in the ground (μg) and excited (μe) state are simultaneously determined for BADAN (6-bromoacetyl-2-dimethylamino-naphtalene) and ACRYLODAN (6-acrylolyl-2-dimethylamino-naphtalene) in ethyl acetate. For these compounds the same ratio μe/μg = 2.9 was found, which is similar to that of PRODAN (6-propionyl-2-dimethylamino-naphtalene). The estimated empirical Onsager radii afor BADAN and ACRYLODAN are the same, and they are somewhat smaller than the calculated geometrical values.

  14. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes

    SciTech Connect

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; Gray, Harry B.; Fujita, Etsuko; Muckerman, James T.; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M.; Field, Martin J.

    2014-08-11

    Here, we report that the reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  15. Theoretical Modeling of Low Energy Electronic Absorption Bands in Reduced Cobaloximes

    PubMed Central

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; Gray, Harry B.; Fujita, Etsuko; Muckerman, James T.; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M.; Field, Martin J.

    2015-01-01

    The reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task. PMID:25113847

  16. Femtosecond supercontinuum generation in water in the vicinity of absorption bands.

    PubMed

    Dharmadhikari, J A; Steinmeyer, G; Gopakumar, G; Mathur, D; Dharmadhikari, A K

    2016-08-01

    We show that it is possible to overcome the perceived limitations caused by absorption bands in water so as to generate supercontinuum (SC) spectra in the anomalous dispersion regime that extend well beyond 2000 nm wavelength. By choosing a pump wavelength within a few hundred nanometers above the zero-dispersion wavelength of 1048 nm, initial spectral broadening extends into the normal dispersion regime and, in turn, the SC process in the visible strongly benefits from phase-matching and matching group velocities between dispersive radiation and light in the anomalous dispersion regime. Some of the SC spectra are shown to encompass two and a half octaves. PMID:27472597

  17. Anisotropy of inter-band transitions and band structure of Cs3Zn6B9O21 nonlinear optical crystals

    NASA Astrophysics Data System (ADS)

    Bovgyra, O. V.; Kurlak, V. Y.; Chrunik, M.; Majchrowski, A.; Jaroszewicz, L. R.; Ozga, K.

    2016-06-01

    Polarized optical functions near the fundamental absorption edge of novel Cs3Zn6B9O21 nonlinear optical crystals possessing a wide UV transparency down to 190 nm were investigated. The anisotropy of optical functions is not well studied yet which restrains the further strategy of the formation on its base of solid state compounds with desirable properties. The studies were performed using a band structure calculations as well as the experimental measurements of fundamental polarized UV absorption edge and X-ray photoelectron spectra of the studied crystals. The experimental data were used for evaluation of scissor factors of the band structure. The results of the calculations were compared with the XPS and polarized absorption optical spectra of the investigated crystals. The introduction of the scissor factor was performed in order to obtain a sufficient agreement with experiment. The observed anisotropy of absorption may be explained by the anisotropy of carrier effective masses.

  18. Preparation of Ni-B Coating on Carbonyl Iron and Its Microwave Absorption Properties in the X Band

    NASA Astrophysics Data System (ADS)

    Li, Rong; Zhou, Wan-Cheng; Qing, Yu-Chang

    2014-09-01

    Ni-B coated carbonyl iron particles (CI@Ni-B) are prepared by the electroless plating technique. The structure, morphology, and antioxidant properties of the CI@Ni-B particles are analyzed. The results demonstrate that the CI particles have been coated with intact spherical-shell Ni-B coating, indicating the core-shell structure of CI@Ni-B particles, and the Ni-B coating can prevent the further oxidation of the CI particles. Compared with the raw CI particles/paraffin coatings with the same coating thickness of 2.0 mm and particles content of 70%, the CI@Ni-B particles/paraffin coatings possess higher microwave absorption (the RL exceeding -10 dB is obtained in the whole X band (8.2-12.4 GHz) with minimal RL of -35.0 dB at 9.2 GHz).

  19. Optically decomposed near-band-edge structure and excitonic transitions in Ga2S3

    PubMed Central

    Ho, Ching-Hwa; Chen, Hsin-Hung

    2014-01-01

    The band-edge structure and band gap are key parameters for a functional chalcogenide semiconductor to its applications in optoelectronics, nanoelectronics, and photonics devices. Here, we firstly demonstrate the complete study of experimental band-edge structure and excitonic transitions of monoclinic digallium trisulfide (Ga2S3) using photoluminescence (PL), thermoreflectance (TR), and optical absorption measurements at low and room temperatures. According to the experimental results of optical measurements, three band-edge transitions of EA = 3.052 eV, EB = 3.240 eV, and EC = 3.328 eV are respectively determined and they are proven to construct the main band-edge structure of Ga2S3. Distinctly optical-anisotropic behaviors by orientation- and polarization-dependent TR measurements are, respectively, relevant to distinguish the origins of the EA, EB, and EC transitions. The results indicated that the three band-edge transitions are coming from different origins. Low-temperature PL results show defect emissions, bound-exciton and free-exciton luminescences in the radiation spectra of Ga2S3. The below-band-edge transitions are respectively characterized. On the basis of experimental analyses, the optical property of near-band-edge structure and excitonic transitions in the monoclinic Ga2S3 crystal is revealed. PMID:25142550

  20. Band Structure Characteristics of Nacreous Composite Materials with Various Defects

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    Nacreous composite materials have excellent mechanical properties, such as high strength, high toughness, and wide phononic band gap. In order to research band structure characteristics of nacreous composite materials with various defects, supercell models with the Brick-and-Mortar microstructure are considered. An efficient multi-level substructure algorithm is employed to discuss the band structure. Furthermore, two common systems with point and line defects and varied material parameters are discussed. In addition, band structures concerning straight and deflected crack defects are calculated by changing the shear modulus of the mortar. Finally, the sensitivity of band structures to the random material distribution is presented by considering different volume ratios of the brick. The results reveal that the first band gap of a nacreous composite material is insensitive to defects under certain conditions. It will be of great value to the design and synthesis of new nacreous composite materials for better dynamic properties.

  1. Linear-Circular Dichroism of Four-Photon Absorption of Light in Semiconductors with a Complex Valence Band

    NASA Astrophysics Data System (ADS)

    Rasulov, R. Ya.; Rasulov, V. R.; Eshboltaev, I.

    2016-04-01

    Matrix elements of optical transitions occuring between the subbands of the valence band of a p-GaAs type semiconductor are calculated. Transitions associated with the non-simultaneous absorption of single photons and simultaneous absorption of two photons are taken into account. The expressions are obtained for the average values of the square modulus of matrix elements calculated with respect to the solid angle of the wave vector of holes. Linear-circular dichroism of four-photon absorption of light in semiconductors with a complex valence band is theoretically studied.

  2. Enhanced absorption of graphene strips with a multilayer subwavelength grating structure

    SciTech Connect

    Hu, Jin-Hua; Huang, Yong-Qing Duan, Xiao-Feng; Wang, Qi; Zhang, Xia; Wang, Jun; Ren, Xiao-Min

    2014-12-01

    The optical absorption of graphene strips covered on a multilayer subwavelength grating (MSG) surface is theoretically investigated. The absorption of graphene strips with MSG is enhanced in the wavelength range of 1500 nm to 1600 nm by critical coupling, which is associated with the combined effects of a guided resonance of MSG and its photonic band gap effect. The critical coupling of the graphene strips can be controlled by adjusting the incident angle without changing the structural parameters of MSG. The absorption of graphene strips can also be tuned by varying key parameters, such as grating period, strip width, and incident angle.

  3. Engineering the Electronic Band Structure for Multiband Solar Cells

    SciTech Connect

    Lopez, N.; Reichertz, L.A.; Yu, K.M.; Campman, K.; Walukiewicz, W.

    2010-07-12

    Using the unique features of the electronic band structure of GaNxAs1-x alloys, we have designed, fabricated and tested a multiband photovoltaic device. The device demonstrates an optical activity of three energy bands that absorb, and convert into electrical current, the crucial part of the solar spectrum. The performance of the device and measurements of electroluminescence, quantum efficiency and photomodulated reflectivity are analyzed in terms of the Band Anticrossing model of the electronic structure of highly mismatched alloys. The results demonstrate the feasibility of using highly mismatched alloys to engineer the semiconductor energy band structure for specific device applications.

  4. Absorption coefficients for the 6190-A CH4 band between 290 and 100 K with application to Uranus' atmosphere

    NASA Technical Reports Server (NTRS)

    Smith, Wm. Hayden; Conner, Charles P.; Baines, Kevin H.

    1990-01-01

    A novel laser intracavity photoacoustic spectroscopy method allowing high sample control accuracy due to the small sample volume required has been used to obtain absorption coefficients for the CH4 6190 A band as a function of temperature, from 290 to 100 K. The peak absorption coefficient is found to increase from 0.6 to 1.0/cm, and to be accompanied by significant band shape changes. When used to further constrain the Baines and Bergstrahl (1986) standard model of the Uranus atmosphere, the low-temperature data yield an excellent fit to the bandshape near the 6190 A band's minimum.

  5. Nanosecond light induced, thermally tunable transient dual absorption bands in a-Ge₅As₃₀Se₆₅ thin film.

    PubMed

    Khan, Pritam; Saxena, Tarun; Jain, H; Adarsh, K V

    2014-01-01

    In this article, we report the first observation of nanosecond laser induced transient dual absorption bands, one in the bandgap (TA₁) and another in the sub-bandgap (TA₂) regions of a-Ge₅As₃₀Se₆₅ thin films. Strikingly, these bands are thermally tunable and exhibit a unique contrasting characteristic: the magnitude of TA₁ decreases while that of TA₂ increases with increasing temperature. Further, the decay kinetics of these bands is strongly influenced by the temperature, which signifies a strong temperature dependent exciton recombination mechanism. The induced absorption shows quadratic and the decay time constant shows linear dependence on the laser beam fluence. PMID:25300520

  6. Absorption coefficients for the 6190-A CH sub 4 band between 290 and 100 K with application to Uranus' atmosphere

    SciTech Connect

    Smith, WM.H.; Conner, C.P.; Baines, K.H. JPL, Pasadena, CA )

    1990-05-01

    A novel laser intracavity photoacoustic spectroscopy method allowing high sample control accuracy due to the small sample volume required has been used to obtain absorption coefficients for the CH{sub 4} 6190 A band as a function of temperature, from 290 to 100 K. The peak absorption coefficient is found to increase from 0.6 to 1.0/cm, and to be accompanied by significant band shape changes. When used to further constrain the Baines and Bergstrahl (1986) standard model of the Uranus atmosphere, the low-temperature data yield an excellent fit to the bandshape near the 6190 A band's minimum. 18 refs.

  7. First principle studies on the electronic structures and absorption spectra in KMgF 3 crystal with fluorine vacancy

    NASA Astrophysics Data System (ADS)

    Cheng, Fang; Liu, Tingyu; Zhang, Qiren; Qiao, Hailin; Zhou, Xiuwen

    2010-08-01

    The experiments indicate that the perfect KMgF 3 crystal has no absorption in the visible range, however the electron irradiation induces a complex absorption spectrum. The absorption spectra can be decomposed by five Gaussian bands peaking at 2.5 eV (488 nm), 3.4 eV (359 nm), 4.2 eV (295 nm), 4.6 eV (270 nm) and 5.2 eV (239 nm), respectively. The purpose of this paper is to seek the origins of the absorption bands. The electronic structures and absorption spectra either for the perfect KMgF 3 or for KMgF 3: VF+ with electrical neutrality have been studied by using density functional theory code CASTEP with the lattice structure optimized. The calculation results predicate that KMgF 3: VF+ also exhibits five absorption bands caused by the existence of the fluorine ion vacancy VF+ and the five absorption bands well coincide with the experimental results. It is believable that the five absorption bands are related to VF+ in KMgF 3 crystal produced by the electron irradiation.

  8. Shallow electron traps in alkali halide crystals: Mollwo-Ivey relations of the optical absorption bands

    NASA Astrophysics Data System (ADS)

    Ziraps, Valters

    2001-03-01

    Evidences are given that two classes of the transient IR- absorption bands: (a) with max. at 0.27-0.36 eV in NaCl, KCl, KBr, KI and RbCl (due to shallow electron traps according G. Jacobs or due to bound polarons according E.V. Korovkin and T.A. Lebedkina) and (b) with max. at 0.15-0.36 eV in NaI, NaBr, NaCl:I, KCl:I, RbCl:I and RbBr:I (due to on-center STE localized at iodine dimer according M. Hirai and collaborators) are caused by the same defect- atomic alkali impurity center [M+]c0e- (electron e- trapped by a substitutional smaller size alkali cation impurity [M+]c0). The Mollwo-Ivey plots (for the transient IR-absorption bands) of the zero-phonon line energy E0 (for NaCl, KCl, KBr, RbCl and NaBr, KCl:I) and/or the low-energy edge valued E0 (for NaI, RbCl:I, RbBr:I) versus anion-cation distance (d) evidence that two types of the [M+]c0e- centers are predominant: (a) [Na+]c0e- in the KX and RbX host crystals with the relation E0approximately equals 6.15/d2.74, (b) [Li+]c03- in the NaX host crystals - E0approximately equals 29.4/d4.72. The Mollwo-Ivey relation E0approximately equals 18.36/d(superscript 2.70 is fulfilled as well for the F' band in NaCl, KCl, KBr, KI, RbCl, RbI if we use the F' center optical binding energy values E0.

  9. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays

    PubMed Central

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-01-01

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption bands with a single-sized tapered HMM waveguide array can be effectively eliminated, resulting in a largely expanded absorption bandwidth ranging from 2.3 to 40 GHz. The presented ultra-broadband light absorber is also insensitive to polarization and robust against incident angle. Our results offer a further step in developing practical artificial electromagnetic absorbers, which will impact a broad range of applications at microwave frequencies. PMID:26477740

  10. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays

    NASA Astrophysics Data System (ADS)

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-10-01

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption bands with a single-sized tapered HMM waveguide array can be effectively eliminated, resulting in a largely expanded absorption bandwidth ranging from 2.3 to 40 GHz. The presented ultra-broadband light absorber is also insensitive to polarization and robust against incident angle. Our results offer a further step in developing practical artificial electromagnetic absorbers, which will impact a broad range of applications at microwave frequencies.

  11. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays.

    PubMed

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-01-01

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption bands with a single-sized tapered HMM waveguide array can be effectively eliminated, resulting in a largely expanded absorption bandwidth ranging from 2.3 to 40 GHz. The presented ultra-broadband light absorber is also insensitive to polarization and robust against incident angle. Our results offer a further step in developing practical artificial electromagnetic absorbers, which will impact a broad range of applications at microwave frequencies. PMID:26477740

  12. Thermally induced effect on sub-band gap absorption in Ag doped CdSe thin films

    NASA Astrophysics Data System (ADS)

    Kaur, Jagdish; Sharma, Kriti; Bharti, Shivani; Tripathi, S. K.

    2015-05-01

    Thin films of Ag doped CdSe have been prepared by thermal evaporation using inert gas condensation (IGC) method taking Argon as inert gas. The prepared thin films are annealed at 363 K for one hour. The sub-band gap absorption spectra in the as deposited and annealed thin films have been studied using constant photocurrent method (CPM). The absorption coefficient in the sub-band gap region is described by an Urbach tail in both as deposited and annealed thin films. The value of Urbach energy and number density of trap states have been calculated from the absorption coefficient in the sub-band gap region which have been found to increase after annealing treatment indicating increase in disorderness in the lattice. The energy distribution of the occupied density of states below Fermi level has also been studied using derivative procedure of absorption coefficient.

  13. Total ozone and aerosol optical depths inferred from radiometric measurements in the Chappuis absorption band

    SciTech Connect

    Flittner, D.E.; Herman, B.M.; Thome, K.J.; Simpson, J.M.; Reagan, J.A. )

    1993-04-15

    A second-derivative smoothing technique, commonly used in inversion work, is applied to the problem of inferring total columnar ozone amounts and aerosol optical depths. The application is unique in that the unknowns (i.e., total columnar ozone and aerosol optical depth) may be solved for directly without employing standard inversion methods. It is shown, however, that by employing inversion constraints, better solutions are normally obtained. The current method requires radiometric measurements of total optical depth through the Chappuis ozone band. It assumes no a priori shape for the aerosol optical depth versus wavelength profile and makes no assumptions about the ozone amount. Thus, the method is quite versatile and able to deal with varying total ozone and various aerosol size distributions. The technique is applied first in simulation, then to 119 days of measurements taken in Tucson, Arizona, that are compared to TOMS values for the same dates. The technique is also applied to two measurements taken at Mauna Loa, Hawaii, for which Dobson ozone values are available in addition to the TOMS values, and the results agree to within 15%. It is also shown through simulations that additional information can be obtained from measurements outside the Chappuis band. This approach reduces the bias and spread of the estimates total ozone and is unique in that it uses measurements from both the Chappuis and Huggins absorption bands. 12 refs., 6 figs., 2 tabs.

  14. [Study on removing the lamp spectrum structure in differential optical absorption spectroscopy].

    PubMed

    Qu, Xiao-ying; Li, Yu-jin

    2010-11-01

    Differential optical absorption spectroscopy (DOAS) technique has been used to measure trace gases in the atmosphere by their strongly structured absorption of radiation in the UV and visible spectral range, and nowadays this technique has been widely utilized to measure trace polluted gases in the atmosphere e.g. SO2, NO2, O3, HCHO, etc. However, there exists lamp (xenon lamp or deuteriumlamp) spectrum structure in the measured band (300-700 nm) of the absorption spectra of atmosphere, which badly impacts on precision of retrieving the concentration of trace gases in the atmosphere. People home and abroad generally employ two ways to handle this problem, one is segmenting band retrieving method, another is remedial retrieving method. In the present paper, a new retrieving method to deal with this trouble is introduced. The authors used moving-window average smoothing method to obtain the slow part of the absorption spectra of atmosphere, then achieved the lamp (xenon lamp in the paper) spectrum structure in the measured band of the absorption spectra of atmosphere. The authors analyzed and retrieved the measured spectrum of the atmosphere, and the result is better than the forenamed ways. Chi-square of residuum is 2.995 x 10(-4), and this method was proved to be able to avoid shortcoming of choosing narrowband and disadvantage of discovering the new component of atmosphere in retrieving the concentration of air pollutants and measuring the air pollutants. PMID:21284148

  15. Band structure controlled by chiral imprinting

    NASA Astrophysics Data System (ADS)

    Castro-Garay, P.; Adrian Reyes, J.; Ramos-Garcia, R.

    2007-09-01

    Using the configuration of an imprinted cholesteric elastomer immersed in a racemic solvent, the authors find the solution of the boundary-value problem for the reflection and transmission of incident optical waves due to the elastomer. They show a significant width reduction of the reflection band for certain values of nematic penetration depth, which depends on the volume fraction of molecules from the solvent, whose handedness is preferably absorbed. The appearance of nested band gaps of both handednesses during the sorting mixed chiral process is also obtained. This suggests the design of chemically controlled optical filters and optically monitored chiral pumps.

  16. 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.

  17. Anomalously Broad Diffuse Interstellar Bands and Excited CH+ Absorption in the Spectrum of Herschel 36

    NASA Astrophysics Data System (ADS)

    York, D. G.; Dahlstrom, J.; Welty, D. E.; Oka, T.; Hobbs, L. M.; Johnson, S.; Friedman, S. D.; Jiang, Z.; Rachford, B. L.; Snow, T. P.; Sherman, R.; Sonnentrucker, P.

    2014-02-01

    Anomalously broad diffuse interstellar bands (DIBs) at 5780.5, 5797.1, 6196.0, and 6613.6 Å are found in absorption along the line of sight to Herschel 36, an O star system next to the bright Hourglass nebula of the Hii region Messier 8. Excited lines of CH and CH+ are seen as well. We show that the region is very compact and itemize other anomalies of the gas. An infrared-bright star within 400 AU is noted. The combination of these effects produces anomalous DIBs, interpreted by Oka et al. (2013, see also this volume) as being caused predominantly by infrared pumping of rotational levels of relatively small molecules.

  18. VARIABILITY OF WATER AND OXYGEN ABSORPTION BANDS IN THE DISK-INTEGRATED SPECTRA OF EARTH

    SciTech Connect

    Fujii, Yuka; Suto, Yasushi; Turner, Edwin L.

    2013-03-10

    We study the variability of major atmospheric absorption features in the disk-integrated spectra of Earth with future application to Earth-analogs in mind, concentrating on the diurnal timescale. We first analyze observations of Earth provided by the EPOXI mission, and find 5%-20% fractional variation of the absorption depths of H{sub 2}O and O{sub 2} bands, two molecules that have major signatures in the observed range. From a correlation analysis with the cloud map data from the Earth Observing Satellite (EOS), we find that their variation pattern is primarily due to the uneven cloud cover distribution. In order to account for the observed variation quantitatively, we consider a simple opaque cloud model, which assumes that the clouds totally block the spectral influence of the atmosphere below the cloud layer, equivalent to assuming that the incident light is completely scattered at the cloud top level. The model is reasonably successful, and reproduces the EPOXI data from the pixel-level EOS cloud/water vapor data. A difference in the diurnal variability patterns of H{sub 2}O and O{sub 2} bands is ascribed to the differing vertical and horizontal distribution of those molecular species in the atmosphere. On Earth, the inhomogeneous distribution of atmospheric water vapor is due to the existence of its exchange with liquid and solid phases of H{sub 2}O on the planet's surface on a timescale short compared with atmospheric mixing times. If such differences in variability patterns were detected in spectra of Earth-analogs, it would provide the information on the inhomogeneous composition of their atmospheres.

  19. Strong heavy-to-light hole intersubband absorption in the valence band of carbon-doped GaAs/AlAs superlattices

    NASA Astrophysics Data System (ADS)

    Hossain, M. I.; Ikonic, Z.; Watson, J.; Shao, J.; Harrison, P.; Manfra, M. J.; Malis, O.

    2013-02-01

    We report strong mid-infrared absorption of in-plane polarized light due to heavy-to-light hole intersubband transitions in the valence band of C-doped GaAs quantum wells with AlAs barriers. The transition energies are well reproduced by theoretical calculations including layer inter-diffusion. The inter-diffusion length was estimated to be 8 ± 2 Å, a value that is consistent with electron microscopy measurements. These results highlight the importance of modeling the nanoscale structure of the semiconductors for accurately reproducing intra-band transition energies of heavy carriers such as the holes.

  20. Investigation of band gap narrowing in nitrogen-doped La2Ti2O7 with transient absorption spectroscopy.

    PubMed

    Yost, Brandon T; Cushing, Scott K; Meng, Fanke; Bright, Joeseph; Bas, Derek A; Wu, Nianqiang; Bristow, Alan D

    2015-12-14

    Doping a semiconductor can extend the light absorption range, however, it usually introduces mid-gap states, reducing the charge carrier lifetime. This report shows that doping lanthanum dititinate (La2Ti2O7) with nitrogen extends the valence band edge by creating a continuum of dopant states, increasing the light absorption edge from 380 nm to 550 nm without adding mid-gap states. The dopant states are experimentally resolved in the excited state by correlating transient absorption spectroscopy with a supercontinuum probe and DFT prediction. The lack of mid-gap states is further confirmed by measuring the excited state lifetimes, which reveal the shifted band edge only increased carrier thermalization rates to the band edge and not interband charge recombination under both ultraviolet and visible excitation. Terahertz (time-domain) spectroscopy also reveals that the conduction mechanism remains unchanged after doping, suggesting the states are delocalized. PMID:26531849

  1. Band Structure Controlled by Chiral Imprinting

    NASA Astrophysics Data System (ADS)

    Reyes Cervantes, Adrian; Castro-Garay, P.; Ramos-Garcia, Ruben

    2008-03-01

    Using the configuration of an imprinted cholesteric elastomer immersed in a racemic solvent, we find the solution of the boundary--value problem for the reflection and transmission of incident optical waves due to the elastomer. We show a significant width reduction of the reflection band for certain values of nematic penetration depth, which depends on the volume fraction of molecules from the solvent, whose handedness is preferably absorbed. The appearance of nested bandgaps of both handednesses during the sorting mixed chiral process is also obtained. This suggests the design of chemically controlled optical filters and optically monitored chiral pumps.

  2. The electronic structure of heavy fermions: Narrow temperature independent bands

    SciTech Connect

    Arko, A.J.; Joyce, J.J.; Smith, J.L.; Andrews, A.B.

    1996-08-01

    The electronic structure of both Ce and U heavy fermions appears to consist of extremely narrow temperature independent bands. There is no evidence from photoemission for a collective phenomenon normally referred to as the Kondo resonance. In uranium compounds a small dispersion of the bands is easily measurable.

  3. Fractional Band Filling in an Atomic Chain Structure

    NASA Astrophysics Data System (ADS)

    Crain, J. N.; Kirakosian, A.; Altmann, K. N.; Bromberger, C.; Erwin, S. C.; McChesney, J. L.; Lin, J.-L.; Himpsel, F. J.

    2003-05-01

    A new chain structure of Au is found on stepped Si(111) which exhibits a 1/4-filled band and a pair of ≥1/2-filled bands with a combined filling of 4/3. Band dispersions and Fermi surfaces for Si(553)-Au are obtained by photoemission and compared to that of Si(557)-Au. The dimensionality of both systems is determined using a tight binding fit. The fractional band filling makes it possible to preserve metallicity in the presence of strong correlations.

  4. Fine structure of the amide i band in acetanilide

    NASA Astrophysics Data System (ADS)

    Careri, G.; Gratton, E.; Shyamsunder, E.

    1988-05-01

    Their absorption spectrum of both single crystals and powdered samples of acetanilide (a model system for proteins) has been studied in the amide i region, where a narrow band has been identified as a highly trapped soliton state. The powder-sample spectra have been decomposed using four Lorentzian bands. A strong temperature dependence has been found for the intensity of two of the subbands, which also show a complementary behavior. Polarization studies performed on thin crystals have shown that the subbands have the same polarization. Low-temperature spectra of partially deuterated samples show the presence of the subbands at the same absorption frequencies found using the fitting procedure in the spectra of nondeuterated samples. The soliton model currently proposed to explain the origin of the anomalous amide i component at 1650 cm-1 still holds, but some modification of the model is required to account for the new features revealed by this study.

  5. Self-absorption theory applied to rocket measurements of the nitric oxide (1, 0) gamma band in the daytime thermosphere

    NASA Technical Reports Server (NTRS)

    Eparvier, F. G.; Barth, C. A.

    1992-01-01

    Observations of the UV fluorescent emissions of the NO (1, 0) and (0, 1) gamma bands in the lower-thermospheric dayglow, made with a sounding rocket launched on March 7, 1989 from Poker Flat, Alaska, were analyzed. The resonant (1, 0) gamma band was found to be attenuated below an altitude of about 120 km. A self-absorption model based on Holstein transmission functions was developed for the resonant (1, 0) gamma band under varying conditions of slant column density and temperature and was applied for the conditions of the rocket flight. The results of the model agreed with the measured attenuation of the band, indicating the necessity of including self-absorption theory in the analysis of satellite and rocket limb data of NO.

  6. Development of a narrow-band, tunable, frequency-quadrupled diode laser for UV absorption spectroscopy.

    PubMed

    Koplow, J P; Kliner, D A; Goldberg, L

    1998-06-20

    A compact, lightweight, low-power-consumption source of tunable, narrow-bandwidth blue and UV radiation is described. In this source, a single-longitudinal-mode diode laser seeds a pulsed, GaAlAs tapered amplifier whose ~860-nm output is frequency quadrupled by two stages of single-pass frequency doubling. Performance of the laser system is characterized over a wide range of amplifier duty cycles (0.1-1.0), pulse durations (50 ns-1.0 mus), peak currents (absorption spectra of nitric oxide and sulfur dioxide near 215 nm; the SO(2) spectrum was found to have significantly more structure and higher peak absorption cross sections than previously reported. PMID:18273363

  7. Photodissociation of water in the first absorption band: A prototype for dissociation on a repulsive potential energy surface

    SciTech Connect

    Engel, V.; Staemmler, V.; Vander Wal, R.L.; Crim, F.F.

    1992-04-16

    The photodissociation of water in the first absorption band, H{sub 2}O(X) + {Dirac_h}{omega} {yields} H{sub 2}O(A{sup 1}B{sub 1}) {yields} H({sup 2}S) + OH({sup 2}II), is a prototype of fast and direct bond rupture in an excited electronic state. It has been investigated from several perspectives-absorption spectrum, final state distributions of the products, dissociation of vibrationally excited states, isotope effects, and emission spectroscopy. The availability of a calculated potential energy surface for the A state, including all three internal degrees of freedom, allows comparison of all experimental data with the results of rigorous quantum mechanical calculations without any fitting parameters or simplifying model assumptions. As the result of the confluence of ab initio electronic structure theory, dynamical theory, and experiment, water is probably the best studied and best understood polyatomic photodissociation system. In this article we review the joint experimental and theoretical advances which make water a unique system for studying molecular dynamics in excited electronic states. We focus our attention especially on the interrelation between the various perspectives and the correlation with the characteristic features of the upper-state potential energy surface. 80 refs., 14 figs.

  8. Band gap and chemically ordered domain structure of a graphene analogue BCN

    NASA Astrophysics Data System (ADS)

    Venu, K.; Kanuri, S.; Raidongia, K.; Hembram, K. P. S. S.; Waghmare, U. V.; Datta, R.

    2010-12-01

    Chemically synthesized few layer graphene analogues of B xC yN z are characterized by aberration corrected transmission electron microscopy and high resolution electron energy loss spectroscopy (HREELS) to determine the local phase, electronic structure and band gap. HREELS band gap studies of a B xC yN z composition reveal absorption edges at 2.08, 3.43 and 6.01 eV, indicating that the B xC yN z structure may consist of domains of different compositions. The K-absorption edge energy position of the individual elements in B xC yN z is determined and compared with h-BN and graphite. An understanding of these experimental findings is developed with complementary first-principles based calculations of the various ordered configurations of B xC yN z.

  9. Unfolding the band structure of non-crystalline photonic band gap materials

    NASA Astrophysics Data System (ADS)

    Tsitrin, Samuel; Williamson, Eric Paul; Amoah, Timothy; Nahal, Geev; Chan, Ho Leung; Florescu, Marian; Man, Weining

    2015-08-01

    Non-crystalline photonic band gap (PBG) materials have received increasing attention, and sizeable PBGs have been reported in quasi-crystalline structures and, more recently, in disordered structures. Band structure calculations for periodic structures produce accurate dispersion relations, which determine group velocities, dispersion, density of states and iso-frequency surfaces, and are used to predict a wide-range of optical phenomena including light propagation, excited-state decay rates, temporal broadening or compression of ultrashort pulses and complex refraction phenomena. However, band calculations for non-periodic structures employ large super-cells of hundreds to thousands building blocks, and provide little useful information other than the PBG central frequency and width. Using stereolithography, we construct cm-scale disordered PBG materials and perform microwave transmission measurements, as well as finite-difference time-domain (FDTD) simulations. The photonic dispersion relations are reconstructed from the measured and simulated phase data. Our results demonstrate the existence of sizeable PBGs in these disordered structures and provide detailed information of the effective band diagrams, dispersion relation, iso-frequency contours, and their angular dependence. Slow light phenomena are also observed in these structures near gap frequencies. This study introduces a powerful tool to investigate photonic properties of non-crystalline structures and provides important effective dispersion information, otherwise difficult to obtain.

  10. Unfolding the band structure of non-crystalline photonic band gap materials.

    PubMed

    Tsitrin, Samuel; Williamson, Eric Paul; Amoah, Timothy; Nahal, Geev; Chan, Ho Leung; Florescu, Marian; Man, Weining

    2015-01-01

    Non-crystalline photonic band gap (PBG) materials have received increasing attention, and sizeable PBGs have been reported in quasi-crystalline structures and, more recently, in disordered structures. Band structure calculations for periodic structures produce accurate dispersion relations, which determine group velocities, dispersion, density of states and iso-frequency surfaces, and are used to predict a wide-range of optical phenomena including light propagation, excited-state decay rates, temporal broadening or compression of ultrashort pulses and complex refraction phenomena. However, band calculations for non-periodic structures employ large super-cells of hundreds to thousands building blocks, and provide little useful information other than the PBG central frequency and width. Using stereolithography, we construct cm-scale disordered PBG materials and perform microwave transmission measurements, as well as finite-difference time-domain (FDTD) simulations. The photonic dispersion relations are reconstructed from the measured and simulated phase data. Our results demonstrate the existence of sizeable PBGs in these disordered structures and provide detailed information of the effective band diagrams, dispersion relation, iso-frequency contours, and their angular dependence. Slow light phenomena are also observed in these structures near gap frequencies. This study introduces a powerful tool to investigate photonic properties of non-crystalline structures and provides important effective dispersion information, otherwise difficult to obtain. PMID:26289434

  11. Unfolding the band structure of non-crystalline photonic band gap materials

    PubMed Central

    Tsitrin, Samuel; Williamson, Eric Paul; Amoah, Timothy; Nahal, Geev; Chan, Ho Leung; Florescu, Marian; Man, Weining

    2015-01-01

    Non-crystalline photonic band gap (PBG) materials have received increasing attention, and sizeable PBGs have been reported in quasi-crystalline structures and, more recently, in disordered structures. Band structure calculations for periodic structures produce accurate dispersion relations, which determine group velocities, dispersion, density of states and iso-frequency surfaces, and are used to predict a wide-range of optical phenomena including light propagation, excited-state decay rates, temporal broadening or compression of ultrashort pulses and complex refraction phenomena. However, band calculations for non-periodic structures employ large super-cells of hundreds to thousands building blocks, and provide little useful information other than the PBG central frequency and width. Using stereolithography, we construct cm-scale disordered PBG materials and perform microwave transmission measurements, as well as finite-difference time-domain (FDTD) simulations. The photonic dispersion relations are reconstructed from the measured and simulated phase data. Our results demonstrate the existence of sizeable PBGs in these disordered structures and provide detailed information of the effective band diagrams, dispersion relation, iso-frequency contours, and their angular dependence. Slow light phenomena are also observed in these structures near gap frequencies. This study introduces a powerful tool to investigate photonic properties of non-crystalline structures and provides important effective dispersion information, otherwise difficult to obtain. PMID:26289434

  12. Band structure in Yang-Mills theories

    NASA Astrophysics Data System (ADS)

    Bachas, Constantin; Tomaras, Theodore

    2016-05-01

    We show how Yang-Mills theory on S3 × ℝ can exhibit a spectrum with continuous bands if coupled either to a topological 3-form gauge field, or to a dynamical axion with heavy Peccei-Quinn scale. The basic mechanism consists in associating winding histories to a bosonic zero mode whose role is to convert a circle in configuration space into a helix. The zero mode is, respectively, the holonomy of the 3-form field or the axion momentum. In these models different θ sectors coexist and are only mixed by (non-local) volume operators. Our analysis sheds light on, and extends Seiberg's proposal for modifying the topological sums in quantum field theories. It refutes a recent claim that B + L violation at LHC is unsuppressed.

  13. Band structure engineering of topological insulator heterojunctions

    NASA Astrophysics Data System (ADS)

    Jin, Kyung-Hwan; Yeom, Han Woong; Jhi, Seung-Hoon

    2016-02-01

    We investigate the topological surface states in heterostructures formed from a three-dimensional topological insulator (TI) and a two-dimensional insulating thin film, using first-principles calculations and the tight-binding method. Utilizing a single Bi or Sb bilayer on top of the topological insulators B i2S e3 , B i2T e3 , B i2T e2Se , and S b2T e3 , we find that the surface states evolve in very peculiar but predictable ways. We show that strong hybridization between the bilayer and TI substrates causes the topological surface states to migrate to the top bilayer. It is found that the difference in the work function of constituent layers, which determines the band alignment and the strength of hybridization, governs the character of newly emerged Dirac states.

  14. Topological band order, structural, electronic and optical properties of XPdBi (X = Lu, Sc) compounds

    NASA Astrophysics Data System (ADS)

    Narimani, M.; Nourbakhsh, Z.

    2016-05-01

    In this paper, the structural, electronic and optical properties of LuPdBi and ScPdBi compounds are investigated using the density functional theory by WIEN2K package within the generalized gradient approximation, local density approximation, Engel-Vosco generalized gradient approximations and modified Becke-Johnson potential approaches. The topological phases and band orders of these compounds are studied. The effect of pressure on band inversion strength, electron density of states and the linear coefficient of the electronic specific heat of these compounds is investigated. Furthermore, the effect of pressure on real and imaginary parts of dielectric function, absorption and reflectivity coefficients of these compounds is studied.

  15. Electronic- and band-structure evolution in low-doped (Ga,Mn)As

    SciTech Connect

    Yastrubchak, O.; Gluba, L.; Żuk, J.; Sadowski, J.; MAX-Lab, Lund University, 22100 Lund ; Krzyżanowska, H.; Department of Physics and Astronomy, Vanderbilt University, 6506 Stevenson Center, Nashville, Tennessee 37325 ; Domagala, J. Z.; Andrearczyk, T.; Wosinski, T.

    2013-08-07

    Modulation photoreflectance spectroscopy and Raman spectroscopy have been applied to study the electronic- and band-structure evolution in (Ga,Mn)As epitaxial layers with increasing Mn doping in the range of low Mn content, up to 1.2%. Structural and magnetic properties of the layers were characterized with high-resolution X-ray diffractometry and SQUID magnetometery, respectively. The revealed results of decrease in the band-gap-transition energy with increasing Mn content in very low-doped (Ga,Mn)As layers with n-type conductivity are interpreted as a result of merging the Mn-related impurity band with the host GaAs valence band. On the other hand, an increase in the band-gap-transition energy with increasing Mn content in (Ga,Mn)As layers with higher Mn content and p-type conductivity indicates the Moss-Burstein shift of the absorption edge due to the Fermi level location within the valence band, determined by the free-hole concentration. The experimental results are consistent with the valence-band origin of mobile holes mediating ferromagnetic ordering in the (Ga,Mn)As diluted ferromagnetic semiconductor.

  16. Locally resonant periodic structures with low-frequency band gaps

    NASA Astrophysics Data System (ADS)

    Cheng, Zhibao; Shi, Zhifei; Mo, Y. L.; Xiang, Hongjun

    2013-07-01

    Presented in this paper are study results of dispersion relationships of periodic structures composited of concrete and rubber, from which the frequency band gap can be found. Two models with fixed or free boundary conditions are proposed to approximate the bound frequencies of the first band gap. Studies are conducted to investigate the low-frequency and directional frequency band gaps for their application to engineering. The study finds that civil engineering structures can be designed to block harmful waves, such as earthquake disturbance.

  17. Banded Electron Structure Formation in the Inner Magnetosphere

    NASA Technical Reports Server (NTRS)

    Liemohn, M. W.; Khazanov, G. V.

    1997-01-01

    Banded electron structures in energy-time spectrograms have been observed in the inner magnetosphere concurrent with a sudden relaxation of geomagnetic activity. In this study, the formation of these banded structures is considered with a global, bounce-averaged model of electron transport, and it is concluded that this structure is a natural occurrence when plasma sheet electrons are captured on closed drift paths near the Earth. These bands do not appear unless there is capture of plasma sheet electrons; convection along open drift paths making open pass around the Earth do not have time to develop this feature. The separation of high-energy bands from the injection population due to the preferential advection of the gradient-curvature drift creates spikes in the energy distribution, which overlap to form a series of bands in the energy spectrograms. The lowest band is the bulk of the injected population in the sub-key energy range. Using the Kp history for an observed banded structure event, a cloud of plasma sheet electrons is captured and the development of their distribution function is examined and discussed.

  18. Spatially resolved methane band photometry of Jupiter. III - Cloud vertical structures for several axisymmetric bands and the Great Red Spot

    SciTech Connect

    West, R.A.; Tomasko, M.G.

    1980-02-01

    The paper presents cloud structure models for Jupiter's Great Red Spot, Equatorial and North Tropical Zones, North and South Temperate Zones, and North and South Polar Regions. The models are based on images of Jupiter in three methane bands and nearby continuum radiative transfer calculations include multiple scattering and absorption from three aerosol layers. The model results include the transition in the upper-cloud altitude to 3 km lower altitude from the tropical zones to temperate zones and polar regions, a N/S asymmetry in cloud thickness in the tropical and temperature zones, and the presence of aerosols up to about 0.3 bar in the Great Red Spot and Equatorial Zone. It is concluded that polarization data are sensitive to aerosols in and above the upper cloud layer but insensitive to deeper cloud structure.

  19. Spatially resolved methane band photometry of Jupiter. III - Cloud vertical structures for several axisymmetric bands and the Great Red Spot

    NASA Technical Reports Server (NTRS)

    West, R. A.; Tomasko, M. G.

    1980-01-01

    The paper presents cloud structure models for Jupiter's Great Red Spot, Equatorial and North Tropical Zones, North and South Temperate Zones, and North and South Polar Regions. The models are based on images of Jupiter in three methane bands and nearby continuum; radiative transfer calculations include multiple scattering and absorption from three aerosol layers. The model results include the transition in the upper-cloud altitude to 3 km lower altitude from the tropical zones to temperate zones and polar regions, a N/S asymmetry in cloud thickness in the tropical and temperature zones, and the presence of aerosols up to about 0.3 bar in the Great Red Spot and Equatorial Zone. It is concluded that polarization data are sensitive to aerosols in and above the upper cloud layer but insensitive to deeper cloud structure.

  20. Retrieval of phytoplankton and colored detrital matter absorption coefficients with remote sensing reflectance in an ultraviolet band.

    PubMed

    Wei, Jianwei; Lee, Zhongping

    2015-02-01

    The light absorption of phytoplankton and colored detrital matter (CDM), which includes contribution of gelbstoff and detrital matters, has distinctive yet overlapping features in the ultraviolet (UV) and visible domain. The CDM absorption (a(dg)) increases exponentially with decreasing wavelength while the absorption coefficient of phytoplankton (a(ph)) generally decreases toward the shorter bands for the range of 350-450 nm. It has long been envisioned that including ocean color measurements in the UV range may help the separation of these two components from the remotely sensed ocean color spectrum. An attempt is made in this study to provide an analytical assessment of this expectation. We started with the development of an absorption decomposition model [quasi-analytical algorithm (QAA)-UV], analogous to the QAA, that partitions the total absorption coefficient using information at bands 380 and 440 nm. Compared to the retrieval results relying on the absorption information at 410 and 440 nm of the original QAA, our analyses indicate that QAA-UV can improve the retrieval of a(ph) and a(dg), although the improvement in accuracy is not significant for values at 440 nm. The performance of the UV-based algorithm is further evaluated with in situ measurements. The limited improvement observed with the field measurements highlights that the separation of a(dg) and a(ph) is highly dependent on the accuracy of the ocean color measurements and the estimated total absorption coefficient. PMID:25967770

  1. Numerical and experimental study of the effect of microslits on the normal absorption of structural metamaterials

    NASA Astrophysics Data System (ADS)

    Ruiz, H.; Claeys, C. C.; Deckers, E.; Desmet, W.

    2016-03-01

    Resonant metamaterials are emerging as novel concepts to reduce noise levels in targeted frequency zones, so-called stop bands. The metamaterial concept improves acoustic behaviour through an increase of the insertion loss. This paper concerns a first investigation on the absorption capabilities of a resonant metamaterial when thermo-viscous effects are incorporated via the addition of microslits. In a previous work, a resonant metamaterial was obtained through the inclusion of resonating structures into cavities of an open honeycomb assembly. In this study, the air gap of the honeycomb structure is reduced so as to provide viscous losses for the travelling waves. Considering that the created resonant structures with open cavities are rigid, an equivalent fluid model is used to calculate the acoustical properties of a so called microslit metamaterial. It is demonstrated that the unit cell structure can be divided into parallel elements for which the acoustic impedance can be computed via the transfer matrix approach TMM in parallel and series. Likewise, it is shown that the structural response can be predicted by FEM models allowing studying the structural effects separately from the viscous-thermal effects predicted by the equivalent fluid model. Moreover, the combined effect of both approaches is shown experimentally where it is observed that: (i) The absorption of the resonant metamaterial is increased by the addition of microslits, (ii) the modes of the test sample appear as small peaks on the absorption curve of the microslit metamaterial, (iii) the structural modes are grouped below and above the stop band and, (iv) the resonant structures do not lead to additional absorption in the stop band region. Analytical models are compared to experimental measurements to validate the models and to show the potential of this material assembly.

  2. Band structure of the quasi two-dimensional purple molybdenum bronze

    NASA Astrophysics Data System (ADS)

    Guyot, H.; Balaska, H.; Perrier, P.; Marcus, J.

    2006-09-01

    The molybdenum purple bronze KMo 6O 17 is quasi two-dimensional (2D) metallic oxide that shows a Peierls transition towards a metallic charge density wave state. Since this specific transition is directly related to the electron properties of the normal state, we have investigated the electronic structure of this bronze at room temperature. The shape of the Mo K1s absorption edge reveals the presence of distorted MoO 6 octahedra in the crystallographic structure. Photoemission experiments evidence a large conduction band, with a bandwidth of 800 meV and confirm the metallic character of this bronze. A wide depleted zone separates the conduction band from the valence band that exhibits a fourfold structure, directly connected to the octahedral symmetry of the Mo sites. The band structure is determined by ARUPS in two main directions of the (0 0 1) Brillouin zone. It exhibits some unpredicted features but corroborates the earlier theoretical band structure and Fermi surface. It confirms the hidden one-dimensionality of KMo 6O 17 that has been proposed to explain the origin of the Peierls transition in this 2D compound.

  3. Band structure of core-shell semiconductor nanowires

    NASA Astrophysics Data System (ADS)

    Pistol, Mats-Erik; Pryor, Craig

    2009-03-01

    We present band structures of strained core-shell nanowires composed of zincblende III-V (binary) semiconductors. We consider all combinations of AlN, GaN, InN, and all combinations of AlP, GaP, AlAs, GaAs, InP, InAs, AlSb, GaSb, and InSb. We compute the γ- and X-conduction band minima as well as the valence band maximum, all as functions of the core and shell radii. The calculations were performed using continuum elasticity theory for the strain, eight-band strain-dependent k.p theory for the γ-point energies, and single band approximation for the X-point conduction minima. We identify structures with type-I, type-II and type-III band alignment, as well as systems in which one material becomes metallic due to a negative band-gap. We identify structures that may support exciton crystals with and without photoexcitation. We have also computed the effective masses, from which the confinement energy may be estimated. All the results [Pistol and Pryor, Phys. Rev. B 78, 115319] are available in graphical and tabular form at www.semiconductor.physics.uiowa.edu

  4. Development of X-Band Dielectric-Loaded Accelerating Structures

    SciTech Connect

    Gold, S. H.; Jing, C.; Kanareykin, A.; Gai, W.; Konecny, R.; Power, J. G.; Kinkead, A. K.

    2010-11-04

    This paper presents a progress report on the development and testing of X-band dielectric-loaded accelerating structures. Recent tests on several quartz DLA structures with different inner diameters are reported. Designs for gap-free DLA structures are presented. Also, planned new experiments are discussed, including higher gradient traveling-wave and standing-wave structures and special grooved structures for multipactor suppression.

  5. Accurate measurements of ozone absorption cross-sections in the Hartley band

    NASA Astrophysics Data System (ADS)

    Viallon, J.; Lee, S.; Moussay, P.; Tworek, K.; Petersen, M.; Wielgosz, R. I.

    2015-03-01

    Ozone plays a crucial role in tropospheric chemistry, is the third largest contributor to greenhouse radiative forcing after carbon dioxide and methane and also a toxic air pollutant affecting human health and agriculture. Long-term measurements of tropospheric ozone have been performed globally for more than 30 years with UV photometers, all relying on the absorption of ozone at the 253.65 nm line of mercury. We have re-determined this cross-section and report a value of 11.27 x 10-18 cm2 molecule-1 with an expanded relative uncertainty of 0.86% (coverage factor k= 2). This is lower than the conventional value currently in use and measured by Hearn (1961) with a relative difference of 1.8%, with the consequence that historically reported ozone concentrations should be increased by 1.8%. In order to perform the new measurements of cross-sections with reduced uncertainties, a system was set up to generate pure ozone in the gas phase together with an optical system based on a UV laser with lines in the Hartley band, including accurate path length measurement of the absorption cell and a careful evaluation of possible impurities in the ozone sample by mass spectrometry and Fourier transform infrared spectroscopy. This resulted in new measurements of absolute values of ozone absorption cross-sections of 9.48 x 10-18, 10.44 x 10-18 and 11.07 x 10-18 cm2 molecule-1, with relative expanded uncertainties better than 0.7%, for the wavelengths (in vacuum) of 244.06, 248.32, and 257.34 nm respectively. The cross-section at the 253.65 nm line of mercury was determined by comparisons using a Standard Reference Photometer equipped with a mercury lamp as the light source. The newly reported value should be used in the future to obtain the most accurate measurements of ozone concentration, which are in closer agreement with non-UV-photometry based methods such as the gas phase titration of ozone with nitrogen monoxide.

  6. Transition state region in the A-Band photodissociation of allyl iodide—A femtosecond extreme ultraviolet transient absorption study

    NASA Astrophysics Data System (ADS)

    Bhattacherjee, Aditi; Attar, Andrew R.; Leone, Stephen R.

    2016-03-01

    Femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy based on a high-harmonic generation source is used to study the 266 nm induced A-band photodissociation dynamics of allyl iodide (CH2 =CHCH2I). The photolysis of the C—I bond at this wavelength produces iodine atoms both in the ground (2P3/2, I) and spin-orbit excited (2P1/2, I*) states, with the latter as the predominant channel. Using XUV absorption at the iodine N4/5 edge (45-60 eV), the experiments constitute a direct probe of not only the long-lived atomic iodine reaction products but also the fleeting transition state region of the repulsive nIσ∗C—I excited states. Specifically, three distinct features are identified in the XUV transient absorption spectrum at 45.3 eV, 47.4 eV, and 48.4 eV (denoted transients A, B, and C, respectively), which arise from the repulsive valence-excited nσ∗ states and project onto the high-lying core-excited states of the dissociating molecule via excitation of 4d(I) core electrons. Transients A and B originate from 4d(I) → n(I) core-to-valence transitions, whereas transient C is best assigned to a 4d(I) →σ∗(C—I) transition. The measured differential absorbance of these new features along with the I/I* branching ratios known from the literature is used to suggest a more definitive assignment, albeit provisional, of the transients to specific dissociative states within the A-band manifold. The transients are found to peak around 55 fs-65 fs and decay completely by 145 fs-185 fs, demonstrating the ability of XUV spectroscopy to map the evolution of reactants into products in real time. The similarity in the energies of transients A and B with analogous features observed in methyl iodide [Attar et al. J. Phys. Chem. Lett. 6, 5072, (2015)] together with the new observation of transient C in the present work provides a more complete picture of the valence electronic structure in the transition state region. The results provide a benchmark for

  7. Absolute radical densities in etching plasmas determined by broad-band UV absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Booth, Jean-Paul; Cunge, Gilles; Neuilly, François; Sadeghi, Nader

    1998-08-01

    Broad-band UV absorption spectroscopy was used to determine radical densities in reactive gas plasmas generated in a 13.56 MHz capacitively coupled parallel plate reactor. Five radical species were detected: 0963-0252/7/3/021/img1, CF, AlF, 0963-0252/7/3/021/img2 and 0963-0252/7/3/021/img3. Absolute (line-integrated) 0963-0252/7/3/021/img1 densities were determined in 0963-0252/7/3/021/img5 and 0963-0252/7/3/021/img6 plasmas, as were the 0963-0252/7/3/021/img1 vibrational and rotational temperatures in the latter case. In 0963-0252/7/3/021/img5 plasmas the CF radical was also detected, along with the etch products AlF (from the Al powered electrode) and 0963-0252/7/3/021/img2 (when an Si substrate was present). The fraction that 0963-0252/7/3/021/img2 comprises of the total etch products was estimated. Finally, the 0963-0252/7/3/021/img3 dimer was detected in an 0963-0252/7/3/021/img12 plasma in the presence of an Si substrate. This simple technique allows absolute concentrations of many key reactive species to be determined in reactive plasmas, without the need to analyse the complex rotational spectra of these polyatomic molecules.

  8. Effective band structure of random III-V alloys

    NASA Astrophysics Data System (ADS)

    Popescu, Voicu; Zunger, Alex

    2010-03-01

    Random substitutional alloys have no long range order (LRO) or translational symmetry so rigorously speaking they have no E(k) band structure or manifestations thereof. Yet, many experiments on alloys are interpreted using the language of band theory, e.g. inferring Van Hove singularities, band dispersion and effective masses. Many standard alloy theories (VCA- or CPA-based) have the LRO imposed on the alloy Hamiltonian, assuming only on-site disorder, so they can not be used to judge the extent of LRO that really exists. We adopt the opposite way, by using large (thousand atom) randomly generated supercells in which chemically identical alloy atoms are allowed to have different local environments (a polymorphous representation). This then drives site-dependent atomic relaxation as well as potential fluctuations. The eigenstates from such supercells are then mapped onto the Brillouin zone (BZ) of the primitive cell, producing effective band dispersion. Results for (In,Ga)X show band-like behaviour only near the centre and faces of the BZ but rapidly lose such characteristics away from γ or for higher bands. We further analyse the effects of stoichiometry variation, internal relaxation, and short-range order on the alloy band structure.

  9. First-principles calculation of electronic structure and optical absorption of BN ZnO

    NASA Astrophysics Data System (ADS)

    Zhang, Xiao; Schleife, Andre

    2015-03-01

    The α-BN structure of ZnO, a nonequilibrium phase with a transition pressure of 25 GPa, has been found in nano structures of ZnO. The structural difference between the BN structure and the equilibrium wurtzite structure can play an important role for applications of nanostructured ZnO. In order to understand the difference, first principles calculations have been performed on both phases. The electronic structure is computed using the GW method based on Density Functional Theory and HSE hybrid functional calculations. The GW method includes the quasiparticle effects due to the screened electron-electron interaction which gives an accurate description of the electronic band structure and density of states. After that, by solving the Bethe-Salpeter Equation for the optical polarization function, which take excitonic effects into account, we have achieved an accurate description of optical absorption spectra for both structures. We find a good agreement with experimental and previous computational results for WZ structure, and predict the absorption for the BN structure. The BN structure shows a larger band gap and we found a very large optical anisotropy: The gap for extraordinary light polarization is almost 0.7eV larger than that for ordinary light polarization.

  10. Band formation in coupled-resonator slow-wave structures.

    PubMed

    Möller, Björn M; Woggon, Ulrike; Artemyev, Mikhail V

    2007-12-10

    Sequences of coupled-resonator optical waveguides (CROWs) have been examined as slow-wave structures. The formation of photonic bands in finite systems is studied in the frame of a coupled oscillator model. Several types of resonator size tuning in the system are evaluated in a systematical manner. We show that aperiodicities in sequences of coupled microspheres provide an additional degree of freedom for the design of photonic bands. PMID:19551030

  11. Electronic band structure and optical properties of the cubic, Sc, Y and La hydride systems

    SciTech Connect

    Peterman, D.J.

    1980-01-01

    Electronic band structure calculations are used to interpret the optical spectra of the cubic Sc, Y and La hydride systems. Self-consistent band calculations of ScH/sub 2/ and YH/sub 2/ were carried out. The respective joint densities of states are computed and compared to the dielectric functions determined from the optical measurements. Additional calculations were performed in which the Fermi level or band gap energies are rigidly shifted by a small energy increment. These calculations are then used to simulate the derivative structure in thermomodulation spectra and relate the origin of experimental interband features to the calculated energy bands. While good systematic agreement is obtained for several spectral features, the origin of low-energy interband transitions in YH/sub 2/ cannot be explained by these calculated bands. A lattice-size-dependent premature occupation of octahedral sites by hydrogen atoms in the fcc metal lattice is suggested to account for this discrepancy. Various non-self-consistent calculations are used to examine the effect of such a premature occupation. Measurements of the optical absorptivity of LaH/sub x/ with 1.6 < x < 2.9 are presented which, as expected, indicate a more premature occupation of the octahedral sites in the larger LaH/sub 2/ lattice. These experimental results also suggest that, in contrast to recent calculations, LaH/sub 3/ is a small-band-gap semiconductor.

  12. Quasi-static energy absorption of hollow microlattice structures

    SciTech Connect

    Liu, YL; Schaedler, TA; Jacobsen, AJ; Chen, X

    2014-12-01

    We present a comprehensive modeling and numerical study focusing on the energy quasi-static crushing behavior and energy absorption characteristics of hollow tube microlattice structures. The peak stress and effective plateau stress of the hollow microlattice structures are deduced for different geometrical parameters which gives volume and mass densities of energy absorption, D-v and D-m, scale with the relative density, (rho) over bar, as D-v similar to (rho) over bar (1) (5) and D-m similar to (rho) over bar (0 5), respectively, fitting very well to the experimental results of both 60 degrees inclined and 90 degrees predominately microlattices. Then the strategies for energy absorption enhancement are proposed for the engineering design of microlattice structures. By introducing a gradient in the thickness or radius of the lattice members, the buckle propagation can be modulated resulting in an increase in energy absorption density that can exceed 40%. Liquid filler is another approach to improve energy absorption by strengthening the microtruss via circumference expansion, and the gain may be over 100% in terms of volume density. Insight into the correlations between microlattice architecture and energy absorption performance combined with the high degree of architecture control paves the way for designing high performance microlattice structures for a range of impact and impulse mitigation applications for vehicles and structures. (C) 2014 Elsevier Ltd. All rights reserved.

  13. Change In The Electronic Structure And Optical Absorption Of Cuprate Delafossites Via B-site Alloying

    NASA Astrophysics Data System (ADS)

    Beesley, Ramon; Panapitiya, Gihan; Lewis, James; Lewis Group Team

    Delafossite oxides are a family of materials with the form ABO2 , where the A-site is a monovalent cation (Cu , Ag , Au) and the B-site is a trivalent cation (Ga , Al , In). Delafossites typically have a wide optical band gap, this band gap may be tuned by adding a second B-site element forming an AB(1- x) 1B(x)2O2 alloy. We investigate changes in the electronic structure of CuAlO2 , CuGaO2 , and CuInO2 when alloyed with CuFeO2 . Using the FIREBALL program to optimize the atomic structure, calculate the total and partial density of states, calculate the valence band edge for each alloy level, and investigate the clustering factor of the second B-site atom, it is found that alloying with Fe creates midgap states caused by Fe - O interactions. From the partial density of state, each type of atoms contribution to the change in the valence band edge can be seen. Observed changes to the materials include increased optical absorption in the visible range, and symmetry breaking because of the deformation in the crystal structure. The CuFeO2 alloying percentages range from 0-5%. We are synthesizing these alloys to experimentally verify the changes in the optical absorption spectra.

  14. Depth and Shape of the 0.94-microm Water Vapor Absorption Band for Clear and Cloudy Skies.

    PubMed

    Volz, F E

    1969-11-01

    Sky radiation near zenith and solar radiation in the rhosigmatau band region were recorded by means of a rotating interference filter (lambda0.98-0.88 microm) and a silicon detector. Although the spectral resolution of the simple spectrometer was not high, the water vapor content of the cloud free atmosphere was obtained with reasonable accuracy. The band depth of the radiation from thin, bright clouds was only slightly greater than that of the cloud free atmosphere, but dense and dark clouds showed deep bands mainly caused by increased path length as a result of multiple scattering. Considerable distortion of the band due to absorption by liquid water is observed in the radiation from very dark and dense clouds, and sometimes during snowfall. Some laboratory measurements are also discussed. PMID:20076009

  15. Complex band structure of topological insulator Bi2Se3.

    PubMed

    Betancourt, J; Li, S; Dang, X; Burton, J D; Tsymbal, E Y; Velev, J P

    2016-10-01

    Topological insulators are very interesting from a fundamental point of view, and their unique properties may be useful for electronic and spintronic device applications. From the point of view of applications it is important to understand the decay behavior of carriers injected in the band gap of the topological insulator, which is determined by its complex band structure (CBS). Using first-principles calculations, we investigate the dispersion and symmetry of the complex bands of Bi2Se3 family of three-dimensional topological insulators. We compare the CBS of a band insulator and a topological insulator and follow the CBS evolution in both when the spin-orbit interaction is turned on. We find significant differences in the CBS linked to the topological band structure. In particular, our results demonstrate that the evanescent states in Bi2Se3 are non-trivially complex, i.e. contain both the real and imaginary contributions. This explains quantitatively the oscillatory behavior of the band gap obtained from Bi2Se3 (0 0 0 1) slab calculations. PMID:27485021

  16. Evidence for strange stars from joint observation of harmonic absorption bands and of redshift

    NASA Astrophysics Data System (ADS)

    Bagchi, Manjari; Ray, Subharthi; Dey, Mira; Dey, Jishnu

    2006-05-01

    From recent reports on terrestrial heavy ion collision experiments it appears that one may not obtain information about the existence of asymptotic freedom (AF) and chiral symmetry restoration (CSR) for quarks of QCD at high density. This information may still be obtained from compact stars - if they are made up of strange quark matter (SQM). Very high gravitational redshift lines (GRL), seen from some compact stars, seem to suggest high ratios of mass and radius (M/R) for them. This is suggestive of strange stars (SS) and can in fact be fitted very well with SQM equation of state (EOS) deduced with built in AF and CSR. In some other stars broad absorption bands (BAB) appear at about ~0.3keV and multiples thereof, that may fit in very well with resonance with harmonic compressional breathing mode frequencies of these SS. Emission at these frequencies are also observed in six stars. If these two features of large GRL and BAB were observed together in a single star, it would strengthen the possibility for the existence of SS in nature and would vindicate the current dogma of AF and CSR that we believe in QCD. Recently, in 4U 1700 - 24, both features appear to be detected, which may well be interpreted as observation of SS - although the group that analyzed the data did not observe this possibility. We predict that if the shifted lines, that has been observed, are from neon with GRL shift z= 0.4- then the compact object emitting it is a SS of mass 1.2Msolar and radius 7km. In addition the fit to the spectrum leaves a residual with broad dips at 0.35keV and multiples thereof, as in 1E 1207 - 5209 which is again suggestive of SS.

  17. Spatially resolved methane band photometry of Saturn. II - Cloud structure models at four latitudes

    NASA Technical Reports Server (NTRS)

    West, R. A.

    1983-01-01

    Saturn's cloud vertical structures in the Equatorial Zone, South Equatorial Belt, and North and South Temperate Regions near + or - 30 deg latitudes are determined by means of an analysis of spatially resolved reflectivity measurements in the 6190, 7250, and 8996 A methane bands. Radiative transfer models are computed for a structure whose parameters are the methane column abundance in an aerosol-free layer at the top of the atmosphere, and the specific abundance of methane in a semiinfinite homogeneous gas-and-cloud mixture deep in the atmosphere. The structure for the South Equatorial Belt resembles that for the North Temperate Region. The level where unit cloud optical depth occurs in the South Temperate Region is deeper than the corresponding level at other latitudes. The differences between model parameters derived by means of different absorption bands are discussed.

  18. Simulation of the Band Structure of Graphene and Carbon Nanotube

    NASA Astrophysics Data System (ADS)

    Mina, Aziz N.; Awadallah, Attia A.; Phillips, Adel H.; Ahmed, Riham R.

    2012-02-01

    Simulation technique has been performed to simulate the band structure of both graphene and carbon nanotube. Accordingly, the dispersion relations for graphene and carbon nanotube are deduced analytically, using the tight binding model & LCAO scheme. The results from the simulation of the dispersion relation of both graphene and carbon nanotube were found to be consistent with those in the literature which indicates the correctness of the process of simulation technique. The present research is very important for tailoring graphene and carbon nanotube with specific band structure, in order to satisfy the required electronic properties of them.

  19. Optical absorption of polar and semipolar InGaN/GaN quantum wells for blue to green converter structures

    SciTech Connect

    Neuschl, B. Helbing, J.; Thonke, K.

    2014-11-14

    The optical absorption of indium gallium nitride (InGaN)/GaN multi quantum wells (QWs) is analyzed theoretically and experimentally. For different sample structures, either planar or three-dimensional, including QWs with different tilts relative to the (0001) plane of the wurtzite crystal, the room temperature absorption spectra were measured. We observe increasing absorption for larger indium content in the active zone and for increasing QW thickness. The semipolar structures with their reduced internal electric field are favorable with respect to the spectral absorption when compared with polar samples. Numerical k ⋅ p based simulations for quantum wells with variable thickness, indium content, and orientation are in accordance with the experimental results. By taking all QW energy eigenstates in all bands as well as the orientation dependent transition probabilities into account, the spectral absorption for arbitrary sample structures can be calculated.

  20. Metallic subwavelength structures for a broadband infrared absorption control.

    PubMed

    Biener, Gabriel; Niv, Avi; Kleiner, Vladimir; Hasman, Erez

    2007-04-15

    We present a method to control the absorption of a resonator by using a subwavelength structure consisting of thin metallic plates that behaves as a metamaterial film. We demonstrate the ability to tailor the conductivity of such a metallic subwavelength structure to achieve a resonator with the desired impedance matching for the mid-infrared range. This approach provides for broadband, as well as broad-angle, enhanced absorption. Theoretical analyses, as well as experimental results of the optical properties of a metallic NiCr structure at 8-12 microm spectral range are introduced. PMID:17375179

  1. Metallic subwavelength structures for a broadband infrared absorption control

    NASA Astrophysics Data System (ADS)

    Biener, Gabriel; Niv, Avi; Kleiner, Vladimir; Hasman, Erez

    2007-04-01

    We present a method to control the absorption of a resonator by using a subwavelength structure consisting of thin metallic plates that behaves as a metamaterial film. We demonstrate the ability to tailor the conductivity of such a metallic subwavelength structure to achieve a resonator with the desired impedance matching for the mid-infrared range. This approach provides for broadband, as well as broad-angle, enhanced absorption. Theoretical analyses, as well as experimental results of the optical properties of a metallic NiCr structure at 8-12 μm spectral range are introduced.

  2. The absorption coefficient of the liquid N2 2.15-micron band and application to Triton

    NASA Technical Reports Server (NTRS)

    Grundy, William M.; Fink, Uwe

    1991-01-01

    The present measurements of the temperature dependence exhibited by the liquid N2 2.15-micron 2-0 collision-induced band's absorption coefficient and integrated absorption show the latter to be smaller than that of the N2 gas, and to decrease with decreasing temperature. Extrapolating this behavior to Triton's nominal surface temperature yields a new estimate of the N2-ice grain size on the Triton south polar cap; a mean N2 grain size of 0.7-3.0 cm is consistent with grain growth rate calculation results.

  3. Fine-structure Constancy Measurements in QSO Absorption Lines

    NASA Astrophysics Data System (ADS)

    Whitmore, Jonathan B.

    2013-01-01

    The ESO Large Programme 185.A-0745 has awarded 10 nights on the VLT-UVES spectrograph for the study of the possible variation in the fine structure constant. We will present the fine-structure measurements from two lines of sight and several absorption systems. We will also present updated systematic error analyses.

  4. Band gap structure modification of amorphous anodic Al oxide film by Ti-alloying

    SciTech Connect

    Canulescu, S. Schou, J.; Rechendorff, K.; Pleth Nielsen, L.; Borca, C. N.; Jones, N. C.; Hoffmann, S. V.; Bordo, K.; Ambat, R.

    2014-03-24

    The band structure of pure and Ti-alloyed anodic aluminum oxide has been examined as a function of Ti concentration varying from 2 to 20 at. %. The band gap energy of Ti-alloyed anodic Al oxide decreases with increasing Ti concentration. X-ray absorption spectroscopy reveals that Ti atoms are not located in a TiO{sub 2} unit in the oxide layer, but rather in a mixed Ti-Al oxide layer. The optical band gap energy of the anodic oxide layers was determined by vacuum ultraviolet spectroscopy in the energy range from 4.1 to 9.2 eV (300–135 nm). The results indicate that amorphous anodic Al{sub 2}O{sub 3} has a direct band gap of 7.3 eV, which is about ∼1.4 eV lower than its crystalline counterpart (single-crystal Al{sub 2}O{sub 3}). Upon Ti-alloying, extra bands appear within the band gap of amorphous Al{sub 2}O{sub 3}, mainly caused by Ti 3d orbitals localized at the Ti site.

  5. Novel structural flexibility identification in narrow frequency bands

    NASA Astrophysics Data System (ADS)

    Zhang, J.; Moon, F. L.

    2012-12-01

    A ‘Sub-PolyMAX’ method is proposed in this paper not only for estimating modal parameters, but also for identifying structural flexibility by processing the impact test data in narrow frequency bands. The traditional PolyMAX method obtains denominator polynomial coefficients by minimizing the least square (LS) errors of frequency response function (FRF) estimates over the whole frequency range, but FRF peaks in different structural modes may have different levels of magnitude, which leads to the modal parameters identified for the modes with small FRF peaks being inaccurate. In contrast, the proposed Sub-PolyMAX method implements the LS solver in each subspace of the whole frequency range separately; thus the results identified from a narrow frequency band are not affected by FRF data in other frequency bands. In performing structural identification in narrow frequency bands, not in the whole frequency space, the proposed method has the following merits: (1) it produces accurate modal parameters, even for the modes with very small FRF peaks; (2) it significantly reduces computation cost by reducing the number of frequency lines and the model order in each LS implementation; (3) it accurately identifies structural flexibility from impact test data, from which structural deflection under any static load can be predicted. Numerical and laboratory examples are investigated to verify the effectiveness of the proposed method.

  6. Improved self-absorption correction for extended x-ray absorption fine-structure measurements

    SciTech Connect

    Booth, C.H.; Bridges, F.

    2003-06-04

    Extended x-ray absorption fine-structure (EXAFS) data collected in the fluorescence mode are susceptible to an apparent amplitude reduction due to the self-absorption of the fluorescing photon by the sample before it reaches a detector. Previous treatments have made the simplifying assumption that the effect of the EXAFS on the correction term is negligible, and that the samples are in the thick limit. We present a nearly exact treatment that can be applied for any sample thickness or concentration, and retains the EXAFS oscillations in the correction term.

  7. Reconfigurable wave band structure of an artificial square ice

    NASA Astrophysics Data System (ADS)

    Iacocca, Ezio; Gliga, Sebastian; Stamps, Robert L.; Heinonen, Olle

    2016-04-01

    Artificial square ices are structures composed of magnetic nanoelements arranged on the sites of a two-dimensional square lattice, such that there are four interacting magnetic elements at each vertex, leading to geometrical frustration. Using a semianalytical approach, we show that square ices exhibit a rich spin-wave band structure that is tunable both by external magnetic fields and the magnetization configuration of individual elements. Internal degrees of freedom can give rise to equilibrium states with bent magnetization at the element edges leading to characteristic excitations; in the presence of magnetostatic interactions these form separate bands analogous to impurity bands in semiconductors. Full-scale micromagnetic simulations corroborate our semianalytical approach. Our results show that artificial square ices can be viewed as reconfigurable and tunable magnonic crystals that can be used as metamaterials for spin-wave-based applications at the nanoscale.

  8. First detection of ionized helium absorption lines in infrared K band spectra of O-type stars

    NASA Technical Reports Server (NTRS)

    Conti, Peter S.; Block, David L.; Geballe, T. R.; Hanson, Margaret M.

    1993-01-01

    We have obtained high SNR, moderate-resolution K band spectra of two early O-type main sequence stars, HD 46150 O5 V, and HD 46223 O4 V, in the Rosette Nebula. We report the detection, for the first time, of the 2.189 micron He II line in O-type stars. Also detected is the 2.1661 micron Br-gamma line in absorption. The 2.058 micron He I line appears to be present in absorption in both stars, although its appearance at our resolution is complicated by atmospheric features. These three lines can form the basis for a spectral classification system for hot stars in the K band that may be used at infrared wavelengths to elucidate the nature of those luminous stars in otherwise obscured H II and giant H II regions.

  9. Detection of metal stress in boreal forest species using the 0.67-micron chlorophyll absorption band

    NASA Technical Reports Server (NTRS)

    Singhroy, Vernon H.; Kruse, Fred A.

    1991-01-01

    Several recent studies have shown that a shift of the red-edge inflection near 0.70 micron in vegetation reflectance spectra is an indicator of metal stress, partially attributable to changes in chlorophyll concentration. This 'red-edge shift', however, is difficult to detect and has been reported both toward longer (red) and shorter (blue) wavelengths. Our work demonstrates that direct measurement of the depth and width of the chlorophyll absorption band at 0.67 micron using digital feature extraction and absorption band characterization procedures developed for the analysis of mineral spectra is a more consistent indicator of metal stress. Additionally, the magnitude of these parameters is generally greater than that of the red edge shift and thus should be more amenable to detection and mapping using field and aircraft spectrometers.

  10. The Pt2 (1,0) band of System VI in the near infrared by intracavity laser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    O'Brien, Leah C.; O'Brien, James J.

    2011-05-01

    Intracavity laser absorption spectroscopy has been used to record rotationally resolved electronic spectra of Pt2 in the near infrared. The metal dimers were created using a 50 mm-long, platinum-lined hollow cathode plasma discharge. The observed transition at 12 937 cm-1 is identified as the (1,0) band of System VI, with state symmetries Ω = 0 - X Ω = 0.

  11. 5 CFR 9701.321 - Structure of bands.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Structure of bands. 9701.321 Section 9701.321 Administrative Personnel DEPARTMENT OF HOMELAND SECURITY HUMAN RESOURCES MANAGEMENT SYSTEM (DEPARTMENT OF HOMELAND SECURITY-OFFICE OF PERSONNEL MANAGEMENT) DEPARTMENT OF HOMELAND SECURITY...

  12. Band-structure loops and multistability in cavity QED

    SciTech Connect

    Prasanna Venkatesh, B.; O'Dell, D. H. J.; Larson, J.

    2011-06-15

    We calculate the band structure of ultracold atoms located inside a laser-driven optical cavity. For parameters where the atom-cavity system exhibits bistability, the atomic band structure develops loop structures akin to the ones predicted for Bose-Einstein condensates in ordinary (noncavity) optical lattices. However, in our case the nonlinearity derives from the cavity back-action rather than from direct interatomic interactions. We find both bi- and tristable regimes associated with the lowest band, and show that the multistability we observe can be analyzed in terms of swallowtail catastrophes. Dynamic and energetic stability of the mean-field solutions is also discussed, and we show that the bistable solutions have, as expected, one unstable and two stable branches. The presence of loops in the atomic band structure has important implications for proposals concerning Bloch oscillations of atoms inside optical cavities [Peden et al., Phys. Rev. A 80, 043803 (2009); Prasanna Venkatesh et al., Phys. Rev. A 80, 063834 (2009)].

  13. Band structure of W and Mo by empirical pseudopotential method

    NASA Technical Reports Server (NTRS)

    Sridhar, C. G.; Whiting, E. E.

    1977-01-01

    The empirical pseudopotential method (EPM) is used to calculate the band structure of tungsten and molybdenum. Agreement between the calculated reflectivity, density of states, density of states at the Fermi surface and location of the Fermi surface from this study and experimental measurements and previous calculations is good. Also the charge distribution shows the proper topological distribution of charge for a bcc crystal.

  14. Photonic Band Gap structures: A new approach to accelerator cavities

    SciTech Connect

    Kroll, N. |; Smith, D.R.; Schultz, S.

    1992-12-31

    We introduce a new accelerator cavity design based on Photonic Band Gap (PGB) structures. The PGB cavity consists of a two-dimensional periodic array of high dielectric, low loss cylinders with a single removal defect, bounded on top and bottom by conducting sheets. We present the results of both numerical simulations and experimental measurements on the PGB cavity.

  15. Precise ro-vibrational analysis of molecular bands forbidden in absorption: The ν8 +ν10 band of 13C2H4

    NASA Astrophysics Data System (ADS)

    Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Kashirina, N. V.; Maul, C.; Bauerecker, S.

    2015-10-01

    The high resolution spectra of the 13C2H4 molecule was recorded with a Bruker IFS 120 Fourier transform spectrometer and theoretically analyzed in the 1650 - 1800cm-1 region of the ν8 +ν10 band which is forbidden in absorption. About 1200 experimental transitions with the maximum values of quantum numbers Jmax. = 34 and Kamax. = 17 were assigned to the ν8 +ν10 band. On that basis the 516 high accuracy ro-vibrational energies of the (v8=v10=1) vibrational state, as well as energy levels with J ≤ 2 of the (v4 =v8 = 1) and (v7 =v8 = 1) vibrational states, were determined which then were used as input data in the weighted fit of spectroscopic parameters of the Hamiltonian (strong local resonance interactions of the ν8 +ν10 band with the bands ν4 +ν8 and ν7 +ν8 have been taken into account). A set of 34 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. These parameters reproduce positions of about 1200 experimentally recorded and assigned transitions with the rms error drms = 0.00018cm-1 (blended and very weak transitions are not taken into account in that case).

  16. X-Band Photonic Band-Gap Accelerator Structure Breakdown Experiment

    SciTech Connect

    Marsh, Roark A.; Shapiro, Michael A.; Temkin, Richard J.; Dolgashev, Valery A.; Laurent, Lisa L.; Lewandowski, James R.; Yeremian, A.Dian; Tantawi, Sami G.; /SLAC

    2012-06-11

    In order to understand the performance of photonic band-gap (PBG) structures under realistic high gradient, high power, high repetition rate operation, a PBG accelerator structure was designed and tested at X band (11.424 GHz). The structure consisted of a single test cell with matching cells before and after the structure. The design followed principles previously established in testing a series of conventional pillbox structures. The PBG structure was tested at an accelerating gradient of 65 MV/m yielding a breakdown rate of two breakdowns per hour at 60 Hz. An accelerating gradient above 110 MV/m was demonstrated at a higher breakdown rate. Significant pulsed heating occurred on the surface of the inner rods of the PBG structure, with a temperature rise of 85 K estimated when operating in 100 ns pulses at a gradient of 100 MV/m and a surface magnetic field of 890 kA/m. A temperature rise of up to 250 K was estimated for some shots. The iris surfaces, the location of peak electric field, surprisingly had no damage, but the inner rods, the location of the peak magnetic fields and a large temperature rise, had significant damage. Breakdown in accelerator structures is generally understood in terms of electric field effects. These PBG structure results highlight the unexpected role of magnetic fields in breakdown. The hypothesis is presented that the moderate level electric field on the inner rods, about 14 MV/m, is enhanced at small tips and projections caused by pulsed heating, leading to breakdown. Future PBG structures should be built to minimize pulsed surface heating and temperature rise.

  17. Band structure and optical properties of amber studied by first principles

    NASA Astrophysics Data System (ADS)

    Rao, Zhi-Fan; Zhou, Rong-Feng

    2013-03-01

    The band structure and density of states of amber is studied by the first principles calculation based on density of functional theory. The complex structure of amber has 214 atoms and the band gap is 5.0 eV. The covalent bond is combined C/O atoms with H atoms. The O 2p orbital is the biggest effect near the Fermi level. The optical properties' results show that the reflectivity is low, and the refractive index is 1.65 in visible light range. The highest absorption coefficient peak is at 172 nm and another higher peak is at 136 nm. These convince that the amber would have a pretty sheen and that amber is a good and suitable crystal for jewelry and ornaments.

  18. Wide angle and narrow-band asymmetric absorption in visible and near-infrared regime through lossy Bragg stacks.

    PubMed

    Shu, Shiwei; Zhan, Yawen; Lee, Chris; Lu, Jian; Li, Yang Yang

    2016-01-01

    Absorber is an important component in various optical devices. Here we report a novel type of asymmetric absorber in the visible and near-infrared spectrum which is based on lossy Bragg stacks. The lossy Bragg stacks can achieve near-perfect absorption at one side and high reflection at the other within the narrow bands (several nm) of resonance wavelengths, whereas display almost identical absorption/reflection responses for the rest of the spectrum. Meanwhile, this interesting wavelength-selective asymmetric absorption behavior persists for wide angles, does not depend on polarization, and can be ascribed to the lossy characteristics of the Bragg stacks. Moreover, interesting Fano resonance with easily tailorable peak profiles can be realized using the lossy Bragg stacks. PMID:27251768

  19. Wide angle and narrow-band asymmetric absorption in visible and near-infrared regime through lossy Bragg stacks

    NASA Astrophysics Data System (ADS)

    Shu, Shiwei; Zhan, Yawen; Lee, Chris; Lu, Jian; Li, Yang Yang

    2016-06-01

    Absorber is an important component in various optical devices. Here we report a novel type of asymmetric absorber in the visible and near-infrared spectrum which is based on lossy Bragg stacks. The lossy Bragg stacks can achieve near-perfect absorption at one side and high reflection at the other within the narrow bands (several nm) of resonance wavelengths, whereas display almost identical absorption/reflection responses for the rest of the spectrum. Meanwhile, this interesting wavelength-selective asymmetric absorption behavior persists for wide angles, does not depend on polarization, and can be ascribed to the lossy characteristics of the Bragg stacks. Moreover, interesting Fano resonance with easily tailorable peak profiles can be realized using the lossy Bragg stacks.

  20. Wide angle and narrow-band asymmetric absorption in visible and near-infrared regime through lossy Bragg stacks

    PubMed Central

    Shu, Shiwei; Zhan, Yawen; Lee, Chris; Lu, Jian; Li, Yang Yang

    2016-01-01

    Absorber is an important component in various optical devices. Here we report a novel type of asymmetric absorber in the visible and near-infrared spectrum which is based on lossy Bragg stacks. The lossy Bragg stacks can achieve near-perfect absorption at one side and high reflection at the other within the narrow bands (several nm) of resonance wavelengths, whereas display almost identical absorption/reflection responses for the rest of the spectrum. Meanwhile, this interesting wavelength-selective asymmetric absorption behavior persists for wide angles, does not depend on polarization, and can be ascribed to the lossy characteristics of the Bragg stacks. Moreover, interesting Fano resonance with easily tailorable peak profiles can be realized using the lossy Bragg stacks. PMID:27251768

  1. Dynamic energy absorption characteristics of hollow microlattice structures

    SciTech Connect

    Liu, YL; Schaedler, TA; Chen, X

    2014-10-01

    Hollow microlattice structures are promising candidates for advanced energy absorption and their characteristics under dynamic crushing are explored. The energy absorption can be significantly enhanced by inertial stabilization, shock wave effect and strain rate hardening effect. In this paper we combine theoretical analysis and comprehensive finite element method simulation to decouple the three effects, and then obtain a simple model to predict the overall dynamic effects of hollow microlattice structures. Inertial stabilization originates from the suppression of sudden crushing of the microlattice and its contribution scales with the crushing speed, v. Shock wave effect comes from the discontinuity across the plastic shock wave front during dynamic loading and its contribution scales with e. The strain rate effect increases the effective yield strength upon dynamic deformation and increases the energy absorption density. A mechanism map is established that illustrates the dominance of these three dynamic effects at a range of crushing speeds. Compared with quasi-static loading, the energy absorption capacity a dynamic loading of 250 m/s can be enhanced by an order of magnitude. The study may shed useful insight on designing and optimizing the energy absorption performance of hollow microlattice structures under various dynamic loads. (C) 2014 Elsevier Ltd. All rights reserved.

  2. X-ray absorption near edge structure investigation ofvanadium-doped ZnO thin films

    SciTech Connect

    Faiz, M.; Tabet, N.; Mekki, A.; Mun, B.S.; Hussain, Z.

    2006-05-11

    X-ray absorption near edge structure spectroscopy has beenused to investigate the electronic and atomic structure of vanadium-dopedZnO thin films obtained by reactive plasma. The results show no sign ofmetallic clustering of V atoms, +4 oxidation state of V, 4-foldcoordination of Zn in the films, and a secondary phase (possibly VO2)formation at 15 percent V doping. O K edge spectra show V 3d-O 2p and Zn4d-O 2p hybridization, and suggest that V4+ acts as electron donor thatfills the sigma* band.

  3. Complex band structure in neutron-deficient {sup 178}Hg

    SciTech Connect

    Kondev, F. G.; Carpenter, M. P.; Janssens, R. V. F.; Wiedenhoever, I.; Alcorta, M.; Bhattacharyya, P.; Brown, L. T.; Davids, C. N.; Fischer, S. M.; Khoo, T. L.

    2000-01-01

    Using the GAMMASPHERE array in conjunction with the Fragment Mass Analyzer, the level structure of the near drip-line nucleus {sup 178}Hg has been considerably expanded with the recoil-decay tagging technique. Of particular interest is a new rotational band which exhibits a complex decay towards the low spin states arising from both the prolate-deformed and the nearly spherical coexisting minima. It is proposed that this band is associated at low spin with an octupole vibration which is crossed at moderate frequency by a shape driving, two quasiproton excitation. (c) 1999 The American Physical Society.

  4. Electronic band structure of magnetic bilayer graphene superlattices

    SciTech Connect

    Pham, C. Huy; Nguyen, T. Thuong

    2014-09-28

    Electronic band structure of the bilayer graphene superlattices with δ-function magnetic barriers and zero average magnetic flux is studied within the four-band continuum model, using the transfer matrix method. The periodic magnetic potential effects on the zero-energy touching point between the lowest conduction and the highest valence minibands of pristine bilayer graphene are exactly analyzed. Magnetic potential is shown also to generate the finite-energy touching points between higher minibands at the edges of Brillouin zone. The positions of these points and the related dispersions are determined in the case of symmetric potentials.

  5. Absolute Rovibrational Intensities of C-12O2-16 Absorption Bands in the 3090-3850/ CM Spectral Region

    NASA Technical Reports Server (NTRS)

    Devi, V. Malathy; Benner, D. Chris; Rinsland, Curtis P.; Smith, Mary Ann H.

    1998-01-01

    A multispectrum nonlinear least-squares fitting technique has been used to determine the absolute intensities for approximately 1500 spectral lines in 36 vibration - rotation bands Of C-12O2-16 between 3090 and 3850/ cm. A total of six absorption spectra of a high- purity (99.995% minimum) natural sample of carbon dioxide were used in the analysis. The spectral data (0.01/cm resolution) were recorded at room temperature and low pressure (1 to 10 Torr) using the McMath-Pierce Fourier transform spectrometer of the National Solar Observatory (NSO) on Kitt Peak. The absorption path lengths for these spectra varied between 24.86 and 385.76 m. The first experimental determination of the intensity of the theoretically predicted 2(nu)(sub 2, sup 2) + nu(sub 3) "forbidden" band has been made. The measured line intensities obtained for each band have been analyzed to determine the vibrational band intensity, S(sub nu), in /cm/( molecule/sq cm) at 296 K, square of the rotationless transition dipole moment |R|(exp 2) in Debye, as well as the nonrigid rotor coefficients. The results are compared to the values listed in the 1996 HITRAN database which are obtained using the direct numerical diagonalization (DND) technique as well as to other published values where available.

  6. Conduction-band electronic states of YbInCu{sub 4} studied by photoemission and soft x-ray absorption spectroscopies

    SciTech Connect

    Utsumi, Yuki; Kurihara, Hidenao; Maso, Hiroyuki; Tobimatsu, Komei; Sato, Hitoshi; Shimada, Kenya; Namatame, Hirofumi; Hiraoka, Koichi; Kojima, Kenichi; Ohkochi, Takuo; Fujimori, Shin-ichi; Takeda, Yukiharu; Saitoh, Yuji; Mimura, Kojiro; Ueda, Shigenori; Yamashita, Yoshiyuki; Yoshikawa, Hideki; Kobayashi, Keisuke; Oguchi, Tamio; Taniguchi, Masaki

    2011-09-15

    We have studied conduction-band (CB) electronic states of a typical valence-transition compound YbInCu{sub 4} by means of temperature-dependent hard x-ray photoemission spectroscopy (HX-PES) of the Cu 2p{sub 3/2} and In 3d{sub 5/2} core states taken at h{nu}=5.95 keV, soft x-ray absorption spectroscopy (XAS) of the Cu 2p{sub 3/2} core absorption region around h{nu}{approx}935 eV, and soft x-ray photoemission spectroscopy (SX-PES) of the valence band at the Cu 2p{sub 3/2} absorption edge of h{nu}=933.0 eV. With decreasing temperature below the valence transition at T{sub V}=42 K, we have found that (1) the Cu 2p{sub 3/2} and In 3d{sub 5/2} peaks in the HX-PES spectra exhibit the energy shift toward the lower binding-energy side by {approx}40 and {approx}30 meV, respectively, (2) an energy position of the Cu 2p{sub 3/2} main absorption peak in the XAS spectrum is shifted toward higher photon-energy side by {approx}100 meV, with an appearance of a shoulder structure below the Cu 2p{sub 3/2} main absorption peak, and (3) an intensity of the Cu L{sub 3}VV Auger spectrum is abruptly enhanced. These experimental results suggest that the Fermi level of the CB-derived density of states is shifted toward the lower binding-energy side. We have described the valence transition in YbInCu{sub 4} in terms of the charge transfer from the CB to Yb 4f states.

  7. Analysis of airborne imaging spectrometer data for the Ruby Mountains, Montana, by use of absorption-band-depth images

    NASA Technical Reports Server (NTRS)

    Brickey, David W.; Crowley, James K.; Rowan, Lawrence C.

    1987-01-01

    Airborne Imaging Spectrometer-1 (AIS-1) data were obtained for an area of amphibolite grade metamorphic rocks that have moderate rangeland vegetation cover. Although rock exposures are sparse and patchy at this site, soils are visible through the vegetation and typically comprise 20 to 30 percent of the surface area. Channel averaged low band depth images for diagnostic soil rock absorption bands. Sets of three such images were combined to produce color composite band depth images. This relative simple approach did not require extensive calibration efforts and was effective for discerning a number of spectrally distinctive rocks and soils, including soils having high talc concentrations. The results show that the high spectral and spatial resolution of AIS-1 and future sensors hold considerable promise for mapping mineral variations in soil, even in moderately vegetated areas.

  8. Extended X-ray absorption fine structure of bimetallic nanoparticles

    PubMed Central

    2011-01-01

    Summary Electronic and magnetic properties strongly depend on the structure of the material, especially on the crystal symmetry and chemical environment. In nanoparticles, the break of symmetry at the surface may yield different physical properties with respect to the corresponding bulk material. A useful tool to investigate the electronic structure, magnetic behaviour and local crystallographic structure is X-ray absorption spectroscopy. In this review, recent developments in the field of extended X-ray absorption fine structure measurements and in the analysis methods for structural investigations of bimetallic nanoparticles are highlighted. The standard analysis based on Fourier transforms is compared to the relatively new field of wavelet transforms that have the potential to outperform traditional analysis, especially in bimetallic alloys. As an example, the lattice expansion and inhomogeneous alloying found in FePt nanoparticles is presented, and this is discussed below in terms of the influence of employed density functional theory calculations on the magnetic properties. PMID:21977436

  9. Absorption-reduced waveguide structure for efficient terahertz generation

    SciTech Connect

    Pálfalvi, L.; Fülöp, J. A.; Hebling, J.

    2015-12-07

    An absorption-reduced planar waveguide structure is proposed for increasing the efficiency of terahertz (THz) pulse generation by optical rectification of femtosecond laser pulses with tilted-pulse-front in highly nonlinear materials with large absorption coefficient. The structure functions as waveguide both for the optical pump and the generated THz radiation. Most of the THz power propagates inside the cladding with low THz absorption, thereby reducing losses and leading to the enhancement of the THz generation efficiency by up to more than one order of magnitude, as compared with a bulk medium. Such a source can be suitable for highly efficient THz pulse generation pumped by low-energy (nJ-μJ) pulses at high (MHz) repetition rates delivered by compact fiber lasers.

  10. Absorption-reduced waveguide structure for efficient terahertz generation

    NASA Astrophysics Data System (ADS)

    Pálfalvi, L.; Fülöp, J. A.; Hebling, J.

    2015-12-01

    An absorption-reduced planar waveguide structure is proposed for increasing the efficiency of terahertz (THz) pulse generation by optical rectification of femtosecond laser pulses with tilted-pulse-front in highly nonlinear materials with large absorption coefficient. The structure functions as waveguide both for the optical pump and the generated THz radiation. Most of the THz power propagates inside the cladding with low THz absorption, thereby reducing losses and leading to the enhancement of the THz generation efficiency by up to more than one order of magnitude, as compared with a bulk medium. Such a source can be suitable for highly efficient THz pulse generation pumped by low-energy (nJ-μJ) pulses at high (MHz) repetition rates delivered by compact fiber lasers.

  11. Energy absorption characteristics of nano-composite conical structures

    NASA Astrophysics Data System (ADS)

    Silva, F.; Sachse, S.; Njuguna, J.

    2012-09-01

    The effect of the filler material on the energy absorption capabilities of polyamide 6 composite structures is studied in details in the present paper. The axial dynamic and quasi-static collapse of conical structures was conducted using a high energy drop tower, as well as Instron 5500R electro-mechanical testing machine. The impact event was recorded using a high-speed camera and the fracture surface was investigated using scanning electron microscopy (SEM). The obtained results indicate an important influence of filler material on the energy absorption capabilities of the polymer composites. A significant increase in specific energy absorption (SEA) is observed in polyamide 6 (PA6) reinforced with nano-silica particles (SiO2) and glass-spheres (GS), whereas addition of montmorillonite (MMT) did not change the SEA parameter.

  12. Coupling effect of quantum wells on band structure

    NASA Astrophysics Data System (ADS)

    Jie, Chen; Weiyou, Zeng

    2015-10-01

    The coupling effects of quantum wells on band structure are numerically investigated by using the Matlab programming language. In a one dimensional finite quantum well with the potential barrier V0, the calculation is performed by increasing the number of inserted barriers with the same height Vb, and by, respectively, varying the thickness ratio of separated wells to inserted barriers and the height ratio of Vb to V0. Our calculations show that coupling is strongly influenced by the above parameters of the inserted barriers and wells. When these variables change, the width of the energy bands and gaps can be tuned. Our investigation shows that it is possible for quantum wells to achieve the desired width of the bands and gaps.

  13. Rotational band structure in odd-odd /sup 132/La

    SciTech Connect

    Oliveira, J. R. B.; Emediato, L. G. R.; Rizzutto, M. A.; Ribas, R. V.; Seale, W. A.; Rao, M. N.; Medina, N. H.; Botelho, S.; Cybulska, E. W.

    1989-06-01

    The level scheme of /sup 132/La was obtained with in-beam gamma spectroscopy techniques using fusion evaporation reactions with /sup 10,11/B, /sup 14/N beams and isotopic targets of Te and Sn. Two rotational band structures were seen. One band, assigned to the ..pi../ital h//sub 11/2//direct product/..nu..h/sub 11/2/, shows a smaller signature splitting as compared to the isotones /sup 134/Pr and /sup 136/Pm, indicating a slight reduction of triaxiality. The other band has been tentatively assigned the ..pi..(422)3/2/sup +//direct product/..nu..h/sub 11/2/ configuration, and shows no signature splitting indicating a near prolate shape.

  14. Mid-frequency Band Dynamics of Large Space Structures

    NASA Technical Reports Server (NTRS)

    Coppolino, Robert N.; Adams, Douglas S.

    2004-01-01

    High and low intensity dynamic environments experienced by a spacecraft during launch and on-orbit operations, respectively, induce structural loads and motions, which are difficult to reliably predict. Structural dynamics in low- and mid-frequency bands are sensitive to component interface uncertainty and non-linearity as evidenced in laboratory testing and flight operations. Analytical tools for prediction of linear system response are not necessarily adequate for reliable prediction of mid-frequency band dynamics and analysis of measured laboratory and flight data. A new MATLAB toolbox, designed to address the key challenges of mid-frequency band dynamics, is introduced in this paper. Finite-element models of major subassemblies are defined following rational frequency-wavelength guidelines. For computational efficiency, these subassemblies are described as linear, component mode models. The complete structural system model is composed of component mode subassemblies and linear or non-linear joint descriptions. Computation and display of structural dynamic responses are accomplished employing well-established, stable numerical methods, modern signal processing procedures and descriptive graphical tools. Parametric sensitivity and Monte-Carlo based system identification tools are used to reconcile models with experimental data and investigate the effects of uncertainties. Models and dynamic responses are exported for employment in applications, such as detailed structural integrity and mechanical-optical-control performance analyses.

  15. Identical band gaps in structurally re-entrant honeycombs.

    PubMed

    Zhu, Zhu-Wei; Deng, Zi-Chen

    2016-08-01

    Structurally re-entrant honeycomb is a sort of artificial lattice material, characterized by star-like unit cells with re-entrant topology, as well as a high connectivity that the number of folded sheets jointing at each vertex is at least six. In-plane elastic wave propagation in this highly connected honeycomb is investigated through the application of the finite element method in conjunction with the Bloch's theorem. Attention is devoted to exploring the band characteristics of two lattice configurations with different star-like unit cells, defined as structurally square re-entrant honeycomb (SSRH) and structurally hexagonal re-entrant honeycomb (SHRH), respectively. Identical band gaps involving their locations and widths, interestingly, are present in the two considered configurations, attributed to the resonance of the sketch folded sheets, the basic component elements for SSRH and SHRH. In addition, the concept of heuristic models is implemented to elucidate the underlying physics of the identical gaps. The phenomenon of the identical bandgaps is not only beneficial for people to further explore the band characteristics of lattice materials, but also provides the structurally re-entrant honeycombs as potential host structures for the design of lattice-based metamaterials of interest for elastic wave control. PMID:27586722

  16. Measurement of valence band structure in arbitrary dielectric films

    SciTech Connect

    Uhm, Han S.; Choi, Eun H.

    2012-10-15

    A new way of measuring the band structure of various dielectric materials using the secondary electron emission from Auger neutralization of ions is introduced. The first example of this measurement scheme is the magnesium oxide (MgO) films with respect to the application of the films in the display industries. The density of state in the valence bands of MgO film and MgO film with a functional layer (FL) deposited over a dielectric surface reveals that the density peak of film with a FL is considerably less than that of film, thereby indicating a better performance of MgO film with functional layer in display devices. The second example of the measurement is the boron-zinc oxide (BZO) films with respect to the application of the films to the development of solar cells. The measurement of density of state in BZO film suggests that a high concentration of boron impurity in BZO films may enhance the transition of electrons and holes through the band gap from the valence to the conduction band in zinc oxide crystals; thereby improving the conductivity of the film. Secondary electron emission by the Auger neutralization of ions is highly instrumental for the determination of the density of states in the valence band of dielectric materials.

  17. Voigt deconvolution method and its applications to pure oxygen absorption spectrum at 1270 nm band

    NASA Astrophysics Data System (ADS)

    AL-Jalali, Muhammad A.; Aljghami, Issam F.; Mahzia, Yahia M.

    2016-03-01

    Experimental spectral lines of pure oxygen at 1270 nm band were analyzed by Voigt deconvolution method. The method gave a total Voigt profile, which arises from two overlapping bands. Deconvolution of total Voigt profile leads to two Voigt profiles, the first as a result of O2 dimol at 1264 nm band envelope, and the second from O2 monomer at 1268 nm band envelope. In addition, Voigt profile itself is the convolution of Lorentzian and Gaussian distributions. Competition between thermal and collisional effects was clearly observed through competition between Gaussian and Lorentzian width for each band envelope. Voigt full width at half-maximum height (Voigt FWHM) for each line, and the width ratio between Lorentzian and Gaussian width (ΓLΓG- 1) have been investigated. The following applied pressures were at 1, 2, 3, 4, 5, and 8 bar, while the temperatures were at 298 K, 323 K, 348 K, and 373 K range.

  18. Voigt deconvolution method and its applications to pure oxygen absorption spectrum at 1270 nm band.

    PubMed

    Al-Jalali, Muhammad A; Aljghami, Issam F; Mahzia, Yahia M

    2016-03-15

    Experimental spectral lines of pure oxygen at 1270 nm band were analyzed by Voigt deconvolution method. The method gave a total Voigt profile, which arises from two overlapping bands. Deconvolution of total Voigt profile leads to two Voigt profiles, the first as a result of O2 dimol at 1264 nm band envelope, and the second from O2 monomer at 1268 nm band envelope. In addition, Voigt profile itself is the convolution of Lorentzian and Gaussian distributions. Competition between thermal and collisional effects was clearly observed through competition between Gaussian and Lorentzian width for each band envelope. Voigt full width at half-maximum height (Voigt FWHM) for each line, and the width ratio between Lorentzian and Gaussian width (ΓLΓG(-1)) have been investigated. The following applied pressures were at 1, 2, 3, 4, 5, and 8 bar, while the temperatures were at 298 K, 323 K, 348 K, and 373 K range. PMID:26709019

  19. Engineered band structure for an enhanced performance on quantum dot-sensitized solar cells

    NASA Astrophysics Data System (ADS)

    Jin, Bin Bin; Wang, Ye Feng; Wei, Dong; Cui, Bin; Chen, Yu; Zeng, Jing Hui

    2016-06-01

    A photon-to-current efficiency of 2.93% is received for the Mn-doped CdS (MCdS)-quantum dot sensitized solar cells (QDSSCs) using Mn:ZnO (MZnO) nanowire as photoanode. Hydrothermal synthesized MZnO are spin-coated on fluorine doped tin oxide (FTO) glass with P25 paste to serve as photoanode after calcinations. MCdS was deposited on the MZnO film by the successive ionic layer adsorption and reaction method. The long lived excitation energy state of Mn2+ is located inside the conduction band in the wide bandgap ZnO and under the conduction band of CdS, which increases the energetic overlap of donor and acceptor states, reducing the "loss-in-potential," inhibiting charge recombination, and accelerating electron injection. The engineered band structure is well reflected by the electrochemical band detected using cyclic voltammetry. Cell performances are evidenced by current density-voltage (J-V) traces, diffuse reflectance spectra, transient PL spectroscopy, and incident photon to current conversion efficiency characterizations. Further coating of CdSe on MZnO/MCdS electrode expands the light absorption band of the sensitizer, an efficiency of 4.94% is received for QDSSCs.

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

    NASA Technical Reports Server (NTRS)

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

    1995-01-01

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

  1. Spin wave band structure of artificial square ices

    NASA Astrophysics Data System (ADS)

    Iacocca, Ezio; Gliga, Sebastian; Stamps, Robert; Heinonen, Olle

    Artificial square spin ices are structures composed of magnetic elements located on the sites of a geometrically frustrated, two-dimensional square lattice. Using a semi-analytical approach, we show that square spin ices exhibit a rich spin wave band structure that is tunable both by external magnetic fields and the magnetic state of individual elements. Internal degrees of freedom can give rise to equilibrium states with bent magnetization at the edges of each element, leading to characteristic excitations; in the presence of magnetostatic interactions these form separate bands analogous to impurity bands in semiconductors. Full-scale micromagnetic simulations corroborate our semi-analytical approach. This study shows that the magnon spectra, and therefore group and phase velocities and band gap, can be manipulated by external fields, temperature, or more sophisticated techniques such as using spin torque on individual elements, and suggesting that artificial square spin ices can be used as metamaterials for spin waves. Our results close the gap between the research fields of artificial spin ices and magnonics. E.I. acknowledges the Swedish Research Council, Reg.No. 637-2014-6863. The work by O.H. was funded by the Department of Energy Office of Science, Materials Sciences and Engineering Division. The work by R.L.S. was funded by EPSRC EP/L002922/1.

  2. Synthesis, crystal structures, and two-photon absorption of a series of cyanoacetic acid triphenylamine derivatives.

    PubMed

    Hao, Fuying; Li, Dandan; Zhang, Qiong; Li, Shengli; Zhang, Shengyi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng

    2015-11-01

    A specific series of chromophores (CN1, CN2, CN3, and CN4) have been synthesized, in which contained a triphenylamine moiety as the electron donor (D), a cyanoacetic acid moiety as the electron acceptor (A), vinylene or phenylethyne as the π-bridge, and ethyoxyl groups as auxiliary electron donor (D') to construct the D-π-A or D'-D-π-A molecular configuration. Photophysical properties of them were systematically investigated. These results show that the chromophores display a solvatochromism (blue shift) and large Stokes shifts for their absorption bands with increasing polarity of the solvent. Furthermore, the chromophore CN4 shows the strongest intensity of two-photon excited fluorescence and largest two-photon absorption cross section (2783 GM) in the near infrared region. Finally, the connections between the structures and properties are systematically investigated relying on the information from linear and nonlinear optical properties, crytsal structures and quantum chemical calculation. PMID:26119354

  3. 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. PMID:17025558

  4. Ultrafast Band Structure Control of a Two-Dimensional Heterostructure.

    PubMed

    Ulstrup, Søren; Čabo, Antonija Grubišić; Miwa, Jill A; Riley, Jonathon M; Grønborg, Signe S; Johannsen, Jens C; Cacho, Cephise; Alexander, Oliver; Chapman, Richard T; Springate, Emma; Bianchi, Marco; Dendzik, Maciej; Lauritsen, Jeppe V; King, Phil D C; Hofmann, Philip

    2016-06-28

    The electronic structure of two-dimensional (2D) semiconductors can be significantly altered by screening effects, either from free charge carriers in the material or by environmental screening from the surrounding medium. The physical properties of 2D semiconductors placed in a heterostructure with other 2D materials are therefore governed by a complex interplay of both intra- and interlayer interactions. Here, using time- and angle-resolved photoemission, we are able to isolate both the layer-resolved band structure and, more importantly, the transient band structure evolution of a model 2D heterostructure formed of a single layer of MoS2 on graphene. Our results reveal a pronounced renormalization of the quasiparticle gap of the MoS2 layer. Following optical excitation, the band gap is reduced by up to ∼400 meV on femtosecond time scales due to a persistence of strong electronic interactions despite the environmental screening by the n-doped graphene. This points to a large degree of tunability of both the electronic structure and the electron dynamics for 2D semiconductors embedded in a van der Waals-bonded heterostructure. PMID:27267820

  5. Calculation of complex band structure for low symmetry lattices

    NASA Astrophysics Data System (ADS)

    Srivastava, Manoj; Zhang, Xiaoguang; Cheng, Hai-Ping

    2009-03-01

    Complex band structure calculation is an integral part of a first-principles plane-wave based quantum transport method. [1] The direction of decay for the complex wave vectors is also the transport direction. The existing algorithm [1] has the limitation that it only allows the transport direction along a lattice vector perpendicular to the basal plane formed by two other lattice vectors, e.g., the c-axis of a tetragonal lattice. We generalize this algorithm to nonorthogonal lattices with transport direction not aligned with any lattice vector. We show that this generalization leads to changes in the boundary conditions and the Schrodinger's equation projected to the transport direction. We present, as an example, the calculation of the complex band structure of fcc Cu along a direction perpendicular to the (111) basal plane. [1] Hyoung Joon Choi and Jisoon Ihm, Phys. Rev. B 59, 2267 (1999).

  6. Ground-based Photon Path Measurements from Solar Absorption Spectra of the O2 A-band

    NASA Technical Reports Server (NTRS)

    Yang, Z.; Wennberg, P. O.; Cageao, R. P.; Pongetti, T. J.; Toon, G. C.; Sander, S. P.

    2005-01-01

    High-resolution solar absorption spectra obtained from Table Mountain Facility (TMF, 34.38degN, 117.68degW, 2286 m elevation) have been analyzed in the region of the O2 A-band. The photon paths of direct sunlight in clear sky cases are retrieved from the O2 absorption lines and compared with ray-tracing calculations based on the solar zenith angle and surface pressure. At a given zenith angle, the ratios of retrieved to geometrically derived photon paths are highly precise (approx.0.2%), but they vary as the zenith angle changes. This is because current models of the spectral lineshape in this band do not properly account for the significant absorption that exists far from the centers of saturated lines. For example, use of a Voigt function with Lorentzian far wings results in an error in the retrieved photon path of as much as 5%, highly correlated with solar zenith angle. Adopting a super-Lorentz function reduces, but does not completely eliminate this problem. New lab measurements of the lineshape are required to make further progress.

  7. Graphene on Ru(0001): Evidence for two graphene band structures

    SciTech Connect

    Katsiev, Khabibulakh; Losovyj, Yaroslav; Zhou, Zihao; Vescovo, E; Liu, L.; Dowben, P. A.; Goodman, D. Wayne

    2012-05-03

    High-resolution photoemission illustrates that the band structure of graphene on Ru(0001) exhibits a well-defined splitting. This splitting is largest with the graphene directly on the Ru(0001) substrate, whereas with a chemisorbed oxygen spacer layer between the graphene and the metal substrate, this splitting is considerably reduced. This splitting is attributed to a combination of chemical interactions between graphene and Ru(0001) and to screening of the former by the latter, not spin-orbit coupling.

  8. Semi-Empirical Validation of the Cross-Band Relative Absorption Technique for the Measurement of Molecular Mixing Ratios

    NASA Technical Reports Server (NTRS)

    Pliutau, Denis; Prasad, Narasimha S

    2013-01-01

    Studies were performed to carry out semi-empirical validation of a new measurement approach we propose for molecular mixing ratios determination. The approach is based on relative measurements in bands of O2 and other molecules and as such may be best described as cross band relative absorption (CoBRA). . The current validation studies rely upon well verified and established theoretical and experimental databases, satellite data assimilations and modeling codes such as HITRAN, line-by-line radiative transfer model (LBLRTM), and the modern-era retrospective analysis for research and applications (MERRA). The approach holds promise for atmospheric mixing ratio measurements of CO2 and a variety of other molecules currently under investigation for several future satellite lidar missions. One of the advantages of the method is a significant reduction of the temperature sensitivity uncertainties which is illustrated with application to the ASCENDS mission for the measurement of CO2 mixing ratios (XCO2). Additional advantages of the method include the possibility to closely match cross-band weighting function combinations which is harder to achieve using conventional differential absorption techniques and the potential for additional corrections for water vapor and other interferences without using the data from numerical weather prediction (NWP) models.

  9. Semi-empirical validation of the cross-band relative absorption technique for the measurement of molecular mixing ratios

    NASA Astrophysics Data System (ADS)

    Pliutau, Denis; Prasad, Narasimha S.

    2013-05-01

    Studies were performed to carry out semi-empirical validation of a new measurement approach we propose for molecular mixing ratios determination. The approach is based on relative measurements in bands of O2 and other molecules and as such may be best described as cross band relative absorption (CoBRA). The current validation studies rely upon well verified and established theoretical and experimental databases, satellite data assimilations and modeling codes such as HITRAN, line-by-line radiative transfer model (LBLRTM), and the modern-era retrospective analysis for research and applications (MERRA). The approach holds promise for atmospheric mixing ratio measurements of CO2 and a variety of other molecules currently under investigation for several future satellite lidar missions. One of the advantages of the method is a significant reduction of the temperature sensitivity uncertainties which is illustrated with application to the ASCENDS mission for the measurement of CO2 mixing ratios (XCO2). Additional advantages of the method include the possibility to closely match cross-band weighting function combinations which is harder to achieve using conventional differential absorption techniques and the potential for additional corrections for water vapor and other interferences without using the data from numerical weather prediction (NWP) models.

  10. Symmetry-Breaking in Cationic Polymethine Dyes: Part 2. Shape of Electronic Absorption Bands Explained by the Thermal Fluctuations of the Solvent Reaction Field.

    PubMed

    Masunov, Artëm E; Anderson, Dane; Freidzon, Alexandra Ya; Bagaturyants, Alexander A

    2015-07-01

    The electronic absorption spectra of the symmetric cyanines exhibit dramatic dependence on the conjugated chain length: whereas short-chain homologues are characterized by the narrow and sharp absorption bands of high intensity, the long-chain homologues demonstrate very broad, structureless bands of low intensity. Spectra of the intermediate homologues combine both features. These broad bands are often explained using spontaneous symmetry-breaking and charge localization at one of the termini, and the combination of broad and sharp features was interpreted as coexistence of symmetric and asymmetric species in solution. These explanations were not supported by the first principle simulations until now. Here, we employ a combination of time-dependent density functional theory, a polarizable continuum model, and Franck-Condon (FC) approximation to predict the absorption line shapes for the series of 2-azaazulene and 1-methylpyridine-4-substituted polymethine dyes. To simulate inhomogeneous broadening by the solvent, the molecular structures are optimized in the presence of a finite electric field of various strengths. The calculated FC line shapes, averaged with the Boltzmann weights of different field strengths, reproduce the experimentally observed spectra closely. Although the polarizable continuum model accounts for the equilibrium solvent reaction field at absolute zero, the finite field accounts for the thermal fluctuations in the solvent, which break the symmetry of the solute molecule. This model of inhomogeneous broadening opens the possibility for computational studies of thermochromism. The choice of the global hybrid exchange-correlation functional SOGGA11-X, including 40% of the exact exchange, plays the critical role in the success of our model. PMID:26087319

  11. Conduction band structure and electron mobility in uniaxially strained Si via externally applied strain in nanomembranes

    NASA Astrophysics Data System (ADS)

    Chen, Feng; Euaruksakul, Chanan; Liu, Zheng; Himpsel, F. J.; Liu, Feng; Lagally, Max G.

    2011-08-01

    Strain changes the band structure of semiconductors. We use x-ray absorption spectroscopy to study the change in the density of conduction band (CB) states when silicon is uniaxially strained along the [1 0 0] and [1 1 0] directions. High stress can be applied to silicon nanomembranes, because their thinness allows high levels of strain without fracture. Strain-induced changes in both the sixfold degenerate Δ valleys and the eightfold degenerate L valleys are determined quantitatively. The uniaxial deformation potentials of both Δ and L valleys are directly extracted using a strain tensor appropriate to the boundary conditions, i.e., confinement in the plane in the direction orthogonal to the straining direction, which correspond to those of strained CMOS in commercial applications. The experimentally determined deformation potentials match the theoretical predictions well. We predict electron mobility enhancement created by strain-induced CB modifications.

  12. Sub-band structure engineering for advanced CMOS channels

    NASA Astrophysics Data System (ADS)

    Takagi, Shin-ichi; Mizuno, T.; Tezuka, T.; Sugiyama, N.; Nakaharai, S.; Numata, T.; Koga, J.; Uchida, K.

    2005-05-01

    This paper reviews our recent studies of novel CMOS channels based on the concept of sub-band structure engineering. This device design concept can be realized as strained-Si channel MOSFETs, ultra-thin SOI MOSFETs and Ge-on-Insulator (GOI) MOSFETs. An important factor for the electron mobility enhancement is the introduction of larger sub-band energy splitting between the 2- and 4-fold valleys on a (1 0 0) surface, which can be obtained in strained-Si and ultra-thin body channels. The electrical properties of strained-Si MOSFETs are summarized with an emphasis on strained-SOI structures. Also, the importance of the precise control of ultra-thin SOI thickness is pointed out from the experimental results of the SOI thickness dependence of mobility. Furthermore, it is shown that the increase in the sub-band energy splitting can also be effective in obtaining higher current drive of n-channel MOSFETs under ballistic transport regime. This suggests that the current drive enhancement based on MOS channel engineering utilizing strain and ultra-thin body structures can be extended to ultra-short channel MOSFETs dominated by ballistic transport.

  13. Band structure and density of states of. beta. -silicon nitride

    SciTech Connect

    Ren, S.Y.; Ching, W.Y.

    1980-01-01

    The electronic energy band structure of ..beta..-Si/sub 3/N/sub 4/ has been calculated using the first principles LCAO method. The bottom of the Conduction Band (CB) is at GAMMA and the top of the valence band (VB) is located along GAMMAA line. The very flat top VB along GAMMAA accounts for a large hole effective mass. The indirect band gap obtained is very close to the experimental value of 5.2 eV. The density of states (DOS) and partial DOS are also obtained and are in good agreement with photoemission data. In the VB region from -20. to -14. eV the states are entirely composed of N 2s states while in the range from -10.5 eV up, the states are predominately N 2p in character. In the CB region, the DOS is dominated by Si 3s and 3p orbital components. These results are consistent with charge analysis which indicates that on average, 0.56 electron is transferred from Si to N per Si-N bond.

  14. Experiment research on ellipsoidal structure methane using the absorption characteristics of 3.31 μm mid-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Yu; Wang, Fang-rong; Zhao, Yan-hui; Wang, Yi-ding; Cui, Tian; Kan, Ru-wen; Wu, Li-chun; Zhang, Tie-qiang; Zhang, Yuan-kun

    2012-07-01

    The intensity distribution of absorption spectroscopy of methane mid-infrared fundamental absorption bands, near-infrared combination band of v2 + 2v3 and overtone band of 2v3 were discussed in details in this paper. Quantitative data showed that the absorption intensities of fundamental bands are twice larger than overtone bands, and three times larger than combination bands. Based on the methane 3.31 μm (v3) fundamental absorption bands and differential signal disposal method, a rotational ellipsoidal light structure was designed using ordinary light source and detector to improve gas detection sensitivity. The experimental results of concentration detection showed that the precision of concentration measurement can reach 3% and detection sensitivity is 50 ppm. Meanwhile, experiment was performed to investigate the influence of temperature on mid-infrared absorption performance of methane and the experience curve of 3.31 μm (v3) fundamental absorption signal depending on temperature and its rate of change was drawn.

  15. Electronic band structure and photoemission: A review and projection

    SciTech Connect

    Falicov, L.M.

    1987-09-01

    A brief review of electronic-structure calculations in solids, as a means of interpreting photoemission spectra, is presented. The calculations are, in general, of three types: ordinary one-electron-like band structures, which apply to bulk solids and are the basis of all other calculations; surface modified calculations, which take into account, self-consistently if at all possible, the presence of a vacuum-solid interface and of the electronic modifications caused thereby; and many-body calculations, which go beyond average-field approximations and consider dynamic rearrangement effects caused by electron-electron correlations during the photoemission process. 44 refs.

  16. Atomic Resolution Mapping of the Excited-State Electronic Structure of Cu2O with Time-Resolved X-Ray Absorption Spectroscopy

    SciTech Connect

    Hillyard, Patrick B.; Kuchibhatla, Satyanarayana V N T; Glover, T. E.; Hertlein, M. P.; Huse, N.; Nachimuthu, Ponnusamy; Saraf, Laxmikant V.; Thevuthasan, Suntharampillai; Gaffney, Kelly J.

    2009-09-29

    We have used time-resolved soft x-ray spectroscopy to investigate the electronic structure of optically excited cuprous oxide at the O K-edge and the Cu L3-edge. The 400 nm optical excitation shifts the Cu and O absorptions to lower energy, but does not change the integrated x-ray absorption significantly for either edge. The constant integrated x-ray absorption cross-section indicates that that the conduction band and valence band edges have very similar Cu 3d and O 2p orbital contributions. The 2.1 eV optical band gap of Cu2O significantly exceeds the one eV shift in the Cu L3- and O K-edges absorption edges induced by optical excitation, demonstrating the importance of core-hole excitonic effects and valence electron screening in the x-ray absorption process.

  17. Atomic resolution mapping of the excited-state electronic structure of Cu2O with time-resolved x-ray absorption spectroscopy

    SciTech Connect

    Hillyard, P. W.; Kuchibhatla, S. V. N. T.; Glover, T. E.; Hertlein, M. P.; Huse, Nils; Nachimuthu, P.; Saraf, L. V.; Thevuthasan, S.; Gaffney, K. J.

    2010-05-02

    We have used time-resolved soft x-ray spectroscopy to investigate the electronic structure of optically excited cuprous oxide at the O K-edge and the Cu L3-edge. The 400 nm optical excitation shifts the Cu and O absorptions to lower energy, but does not change the integrated x-ray absorption significantly for either edge. The constant integrated x-ray absorption cross-section indicates that the conduction-band and valence-band edges have very similar Cu 3d and O 2p orbital contributions. The 2.1 eV optical band gap of Cu2O significantly exceeds the one eV shift in the Cu L3- and O K-edges absorption edges induced by optical excitation, demonstrating the importance of core-hole excitonic effects and valence electron screening in the x-ray absorption process.

  18. Optical Absorption, Stability and Structure of NpO2+ Complexeswith Dicarboxylic Acids

    SciTech Connect

    Guoxin Tian; Linfeng Rao

    2006-01-04

    Complexation of NpO2+ with oxalic acid (OX),2,2'-oxydiacetic acid (ODA), 2,2'-iminodiacetic acid (IDA) and 2,2'-thiodiacetic acid (TDA), has been studied using spectrophotometry in1 M NaClO4. Both the position and the intensity of the absorption band of NpO2+ at 980 nm are affected by the formation of NpO2+/dicarboxylate complexes, providing useful information on the complexation strength, the coordination mode and the structure of the complexes.

  19. Band to band tunneling in III-V semiconductors: Implications of complex band structure, strain, orientation, and off-zone center contribution

    SciTech Connect

    Majumdar, Kausik

    2014-05-07

    In this paper, we use a tight binding Hamiltonian with spin orbit coupling to study the real and complex band structures of relaxed and strained GaAs. A simple d orbital on-site energy shift coupled with appropriate scaling of the off-diagonal terms is found to correctly reproduce the band-edge shifts with strain. Four different 〈100〉 strain combinations, namely, uniaxial compressive, uniaxial tensile, biaxial compressive, and biaxial tensile strain are studied, revealing rich valence band structure and strong relative orientation dependent tunneling. It is found that complex bands are unable to provide unambiguous tunneling paths away from the Brillouin zone center. Tunneling current density distribution over the Brillouin zone is computed using non-equilibrium Green's function approach elucidating a physical picture of band to band tunneling.

  20. Band-Selective Measurements of Electron Dynamics in VO2 UsingFemtosecond Near-Edge X-Ray Absorption

    SciTech Connect

    Cavalleri, A.; Rini, M.; Chong, H.H.W.; Fourmaux, S.; Glover,T.E.; Heimann, P.A.; Kieffer, J.C.; Schoenlein, R.W.

    2005-07-20

    We report on the first demonstration of femtosecond x-rayabsorption spectroscopy, made uniquely possible by the use of broadlytunable bending-magnet radiation from "laser-sliced" electron buncheswithin a synchrotron storage ri ng. We measure the femtosecond electronicrearrangements that occur during the photoinduced insulator-metal phasetransition in VO2. Symmetry- and element-specific x-ray absorption fromV2p and O1s core levels (near 500 eV) separately measures the fillingdynamics of differently hybridized V3d-O2p electronic bands near theFermi level.

  1. Electronic band structures of Ge1-xSnx semiconductors: A first-principles density functional theory study

    NASA Astrophysics Data System (ADS)

    Lee, Ming-Hsien; Liu, Po-Liang; Hong, Yung-An; Chou, Yen-Ting; Hong, Jia-Yang; Siao, Yu-Jin

    2013-02-01

    We conduct first-principles total-energy density functional calculations to study the band structures in Ge1-xSnx infrared semiconductor alloys. The norm-conserving optimized pseudopotentials of Ge and Sn have been constructed for electronic structure calculations. The composition-bandgap relationships in Ge1-xSnx lattices are evaluated by a detailed comparison of structural models and their electronic band structures. The critical Sn composition related to the transition from indirect- to direct-gap in Ge1-xSnx alloys is estimated to be as low as x ˜ 0.016 determined from the parametric fit. Our results show that the crossover Sn concentration occurs at a lower critical Sn concentration than the values predicted from the absorption measurements. However, early results indicate that the reliability of the critical Sn concentration from such measurements is hard to establish, since the indirect gap absorption is much weaker than the direct gap absorption. We find that the direct band gap decreases exponentially with the Sn composition over the range 0 0.375, in very good agreement with the theoretical observed behavior [D. W. Jenkins and J. D. Dow, Phys. Rev. B 36, 7994, 1987]. For homonuclear and heteronuclear complexes of Ge1-xSnx alloys, the indirect band gap at L-pointis is found to decrease homonuclear Ge-Ge bonds or increase homonuclear Sn-Sn bonds as a result of the reduced L valley. All findings agree with previously reported experimental and theoretical results. The analysis suggests that the top of valence band exhibits the localization of bond charge and the bottom of the conduction band is composed of the Ge 4s4p and/or Sn 5s5p atomic orbits.

  2. Band gap tunability of molecular beam epitaxy grown lateral composition modulated GaInP structures by controlling V/III flux ratio

    SciTech Connect

    Park, K. W.; Park, C. Y.; Lee, Y. T.

    2012-07-30

    Lateral composition modulated (LCM) GaInP structures were grown on (001) GaAs substrate by molecular beam epitaxy with different V/III flux ratios. Band gap of LCM structures could be tuned from 1.93 eV to 1.83 eV by decreasing flux ratio while maintaining the same photoluminescence intensity, enhanced light absorption, and widened absorption spectrum. It is shown that for band gap tuning of LCM structures, flux ratio adjustment is a more viable method compared to growth temperature adjustment.

  3. Iron absorption band analysis for the discrimination of iron rich zones

    NASA Technical Reports Server (NTRS)

    Rowan, L. C. (Principal Investigator)

    1973-01-01

    The author has identified the following significant results. A lineament study of the Nevada test site is near completion. Two base maps (1:500,000) have been prepared, one of band 7 lineaments and the other of band 5 lineaments. In general, more lineaments and more faults are seen on band 5. About 45% of the lineaments appear to be faults and contacts, the others being predominantly streams, roads, railway tracks, and mountain crests. About 25% of the lineaments are unidentified so far. Special attention is being given to unmapped extensions of faults, groups of unmapped lineaments, and known mineralized areas and alteration zones. Earthquake epicenters recorded from 1869 to 1963 have been plotted on the two base maps. Preliminary examination as yet indicates no basic correlation with the lineaments. Attempts are being made to subtract bands optically, using an I2S viewer, an enlarger, and a data color viewer. Success has been limited so far due to technical difficulties, mainly vignetting and poor light sources, within the machines. Some vegetation and rock type differences, however, have been discerned.

  4. Measurements of the energy band gap and valence band structure of AgSbTe2

    NASA Astrophysics Data System (ADS)

    Jovovic, V.; Heremans, J. P.

    2008-06-01

    The de Haas-van Alphen effect, galvanomagnetic and thermomagnetic properties of high-quality crystals of AgSbTe2 are measured and analyzed. The transport properties reveal the material studied here to be a very narrow-gap semiconductor (Eg≈7.6±3meV) with ˜5×1019cm-3 holes in a valence band with a high density of states and thermally excited ˜1017cm-3 high-mobility (2200cm2/Vs) electrons at 300 K. The quantum oscillations are measured with the magnetic field oriented along the ⟨111⟩ axis. Taken together with the Fermi energy derived from the transport properties, the oscillations confirm the calculated valence band structure composed of 12 half-pockets located at the X -points of the Brillouin zone, six with a density-of-states effective mass mda∗≫0.21me and six with mdb∗≫0.55me , giving a total density-of-states effective mass, including Fermi pocket degeneracy, of md∗≈1.7±0.2me ( me is the free electron mass). The lattice term dominates the thermal conductivity, and the electronic contribution in samples with both electrons and holes present is in turn dominated by the ambipolar term. The low thermal conductivity and very large hole mass of AgSbTe2 make it a most promising p -type thermoelectric material.

  5. Sound absorption by subwavelength membrane structures: A geometric perspective

    NASA Astrophysics Data System (ADS)

    Yang, Min; Li, Yong; Meng, Chong; Fu, Caixing; Mei, Jun; Yang, Zhiyu; Sheng, Ping

    2015-12-01

    Decorated membranes comprising a thin layer of elastic film with small rigid platelets fixed on top have been found to be efficient absorbers of low-frequency sound. In this work we consider the problem of sound absorption from a perspective aimed at deriving upper bounds under different scenarios, i.e., whether the sound is incident from one side only or from both sides, and whether there is a reflecting surface on the back side of the membrane. By considering the negligible thickness of the membrane, usually on the order of a fraction of one millimeter, we derive a relation showing that the sum of the incoming sound waves' (complex) pressure amplitudes, averaged over the area of the membrane, must be equal to that of the outgoing waves. By using this relation, and without going to any details of the wave solutions, it is shown that the maximum absorption achievable from one-sided incidence is 50%, while the maximum absorption with a back-reflecting surface can reach 100%. The latter was attained by the hybridized resonances. All the results are shown to be in excellent agreement with the experiments. This generalized perspective, when used together with the Green function's formalism, can be useful in gaining insights into the constraints on what are achievable in scatterings and absorption by thin film structures and delineating them.

  6. Rotational Structure of the Ir/fir Bands of Small Pahs

    NASA Astrophysics Data System (ADS)

    Pirali, O.; Gruet, S.; Vervloet, M.; Goubet, M.; Huet, T. R.; Georges, R.; Soulard, P.; Asselin, P.

    2013-06-01

    Accurate spectroscopic measurements in the laboratory of PAH molecules are required to better understand their excitation/relaxation processes which could be responsible for the Unidentified Infrared Bands observed in various objects in space. In particular very few is known concerning the rotational structure of the IR/FIR bands of PAHs. We used the high resolution Fourier Transform interferometer of the AILES beamline of synchrotron SOLEIL to record the rotationally resolved spectra of several IR/FIR vibrational modes of naphthalene (C_{10}H_{8}) and its derivatives: quinoline (C_9H_7N), isoquinoline (C_9H_7N), azulene (C_{10}H_{8}), quinoxaline (C_8H_6N_2), quinazoline (C_8H_6N_2). Firstly, the intense band associated with the ν_{46} CH bending out of plane mode of naphthalene recorded under jet conditions (Jet-AILES experiment developed on the AILES beamline by the IPR-LADIR-PhLAM consortium) revealed transitions involving low J and Ka rotational quantum numbers. These new data permitted to accurately fit the ground state rotational constants and to improve the ν_{46} band constants. As a second step, we performed the rotational analysis of the low frequency ν_{47} and ν_{48} bands of naphthalene recorded at room-temperature in the long absorption pathlength cell from ISMO. As a last step, the high resolution spectra of several bands of azulene, quinoline, isoquinoline and quinoxaline were recorded at room temperature and analyzed using the same procedure. All the rotational constants fitted in the present work were compared to the results of anharmonic DFT calculations realized at various levels of accuracy. S. Albert, et al.; Faraday Discussions, 150, 51 (2011)

  7. Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

    NASA Astrophysics Data System (ADS)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Myronchuk, G. L.; Khvyshchun, M.; Fedorchuk, A. O.; Parasyuk, O. V.; Khyzhun, O. Y.

    2015-04-01

    High-quality single crystal of cesium mercury tetraiodide, Cs2HgI4, has been synthesized by the vertical Bridgman-Stockbarger method and its crystal structure has been refined. In addition, electronic structure and optical properties of Cs2HgI4 have been studied. For the crystal under study, X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces have been measured. The present X-ray photoelectron spectroscopy (XPS) results indicate that the Cs2HgI4 single crystal surface is very sensitive with respect to Ar+ ion-irradiation. In particular, Ar+ bombardment of the single crystal surface alters the elemental stoichiometry of the Cs2HgI4 surface. To elucidate peculiarities of the energy distribution of the electronic states within the valence-band and conduction-band regions of the Cs2HgI4 compound, we have performed first-principles band-structure calculations based on density functional theory (DFT) as incorporated in the WIEN2k package. Total and partial densities of states for Cs2HgI4 have been calculated. The DFT calculations reveal that the I p states make the major contributions in the upper portion of the valence band, while the Hg d, Cs p and I s states are the dominant contributors in its lower portion. Temperature dependence of the light absorption coefficient and specific electrical conductivity has been explored for Cs2HgI4 in the temperature range of 77-300 K. Main optical characteristics of the Cs2HgI4 compound have been elucidated by the first-principles calculations.

  8. Narrow-band, tunable, semiconductor-laser-based source for deep-UV absorption spectroscopy.

    PubMed

    Kliner, D A; Koplow, J P; Goldberg, L

    1997-09-15

    Tunable, narrow-bandwidth (<200-MHz), ~215-nm radiation was produced by frequency quadrupling the ~860-nm output of a high-power, pulsed GaAlAs tapered amplifier seeded by an external-cavity diode laser. Pulsing the amplifier increased the 860 nm?215 nm conversion efficiency by 2 orders of magnitude with respect to cw operation. Detection of nitric oxide and sulfur dioxide by high-resolution absorption spectroscopy was demonstrated. PMID:18188256

  9. THE 217.5 nm BAND, INFRARED ABSORPTION, AND INFRARED EMISSION FEATURES IN HYDROGENATED AMORPHOUS CARBON NANOPARTICLES

    SciTech Connect

    Duley, W. W.; Hu, Anming E-mail: a2hu@uwaterloo.ca

    2012-12-20

    We report on the preparation of hydrogenated amorphous carbon nanoparticles whose spectral characteristics include an absorption band at 217.5 nm with the profile and characteristics of the interstellar 217.5 nm feature. Vibrational spectra of these particles also contain the features commonly observed in absorption and emission from dust in the diffuse interstellar medium. These materials are produced under ''slow'' deposition conditions by minimizing the flux of incident carbon atoms and by reducing surface mobility. The initial chemistry leads to the formation of carbon chains, together with a limited range of small aromatic ring molecules, and eventually results in carbon nanoparticles having an sp {sup 2}/sp {sup 3} ratio Almost-Equal-To 0.4. Spectroscopic analysis of particle composition indicates that naphthalene and naphthalene derivatives are important constituents of this material. We suggest that carbon nanoparticles with similar composition are responsible for the appearance of the interstellar 217.5 nm band and outline how these particles can form in situ under diffuse cloud conditions by deposition of carbon on the surface of silicate grains. Spectral data from carbon nanoparticles formed under these conditions accurately reproduce IR emission spectra from a number of Galactic sources. We provide the first detailed fits to observational spectra of Type A and B emission sources based entirely on measured spectra of a carbonaceous material that can be produced in the laboratory.

  10. Birefringence and band structure of CdP2 crystals

    NASA Astrophysics Data System (ADS)

    Beril, S. I.; Stamov, I. G.; Syrbu, N. N.; Zalamai, V. V.

    2013-08-01

    The spatial dispersion in CdP2 crystals was investigated. The dispersion is positive (nk||с>nk||у) at λ>λ0 and negative (nk||сbands. Minimal direct energy intervals correspond to transitions Г1→Г1 for Е||с and Г2→Г1 for Е⊥с. The temperature coefficient of energy gap sifting in the case of temperature changing between 2 and 4.2 K equals to 10.6 meV/K and 3.2 mev/K for Г1→Г1 and Г2→Г1 band gap correspondingly. Reflectivity spectra were measured for energy interval 1.5-10 eV and optical functions (n, k, ε1, ε2,d2ε1/dE2 and d2ε2/dE2) were calculated by using Kramers-Kronig analyses. All features were interpreted as optical transitions on the basis of both theoretical calculations of band structure.

  11. Band structure of odd-mass lanthanum nuclei

    NASA Astrophysics Data System (ADS)

    Sharma, Deepti; Verma, Preeti; Singh, Suram; Bharti, Arun; Khosa, S. K.

    2014-04-01

    Negative parity energy states in 121-131La have been studied using Projected Shell Model (PSM). Some nuclear structure properties like yrast spectra, back-bending in moment of inertia, reduced transition probabilities and band diagrams have been described. The experimental feature of the co-existence of prolate-oblate shapes in 125-131La isotopes has been satisfactorily explained by PSM results. Comparison of the theoretical data with their experimental counterparts has also been made. From the calculations, it is found that the yrast states arise because of multi-quasiparticle states.

  12. Band Structure Asymmetry of Bilayer Graphene Revealed by Infrared Spectroscopy

    SciTech Connect

    Li, Z.Q.; Henriksen, E.A.; Jiang, Z.; Hao, Zhao; Martin, Michael C.; Kim, P.; Stormer, H.L.; Basov, Dimitri N.

    2008-12-10

    We report on infrared spectroscopy of bilayer graphene integrated in gated structures. We observe a significant asymmetry in the optical conductivity upon electrostatic doping of electrons and holes. We show that this finding arises from a marked asymmetry between the valence and conduction bands, which is mainly due to the inequivalence of the two sublattices within the graphene layer and the next-nearest-neighbor interlayer coupling. From the conductivity data, the energy difference of the two sublattices and the interlayer coupling energy are directly determined.

  13. X-BAND TRAVELING WAVE RF DEFLECTOR STRUCTURES

    SciTech Connect

    Wang, J.W.; Tantawi, S.; /SLAC

    2008-12-18

    Design studies on the X-Band transverse RF deflectors operating at HEM{sub ll} mode have been made for two different applications. One is for beam measurement of time-sliced emittance and slice energy spread for the upgraded LCLS project, its optimization in RF efficiency and system design are carefully considered. Another is to design an ultra-fast RF kicker in order to pick up single bunches from the bunch-train of the B-factory storage ring. The challenges are to obtain very short structure filling time with high RF group velocity and good RF efficiency with reasonable transverse shunt impedance. Its RF system will be discussed.

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

    NASA Astrophysics Data System (ADS)

    Sudeep, P. M.; Vinayasree, S.; Mohanan, P.; Ajayan, P. M.; Narayanan, T. N.; Anantharaman, M. R.

    2015-06-01

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

  15. Spectroscopic determination of leaf biochemistry using band-depth analysis of absorption features and stepwise multiple linear regression

    USGS Publications Warehouse

    Kokaly, R.F.; Clark, R.N.

    1999-01-01

    We develop a new method for estimating the biochemistry of plant material using spectroscopy. Normalized band depths calculated from the continuum-removed reflectance spectra of dried and ground leaves were used to estimate their concentrations of nitrogen, lignin, and cellulose. Stepwise multiple linear regression was used to select wavelengths in the broad absorption features centered at 1.73 ??m, 2.10 ??m, and 2.30 ??m that were highly correlated with the chemistry of samples from eastern U.S. forests. Band depths of absorption features at these wavelengths were found to also be highly correlated with the chemistry of four other sites. A subset of data from the eastern U.S. forest sites was used to derive linear equations that were applied to the remaining data to successfully estimate their nitrogen, lignin, and cellulose concentrations. Correlations were highest for nitrogen (R2 from 0.75 to 0.94). The consistent results indicate the possibility of establishing a single equation capable of estimating the chemical concentrations in a wide variety of species from the reflectance spectra of dried leaves. The extension of this method to remote sensing was investigated. The effects of leaf water content, sensor signal-to-noise and bandpass, atmospheric effects, and background soil exposure were examined. Leaf water was found to be the greatest challenge to extending this empirical method to the analysis of fresh whole leaves and complete vegetation canopies. The influence of leaf water on reflectance spectra must be removed to within 10%. Other effects were reduced by continuum removal and normalization of band depths. If the effects of leaf water can be compensated for, it might be possible to extend this method to remote sensing data acquired by imaging spectrometers to give estimates of nitrogen, lignin, and cellulose concentrations over large areas for use in ecosystem studies.We develop a new method for estimating the biochemistry of plant material using

  16. Characterization of the electronic structure of silicon nanoparticles using x-ray absorption and emission

    NASA Astrophysics Data System (ADS)

    Montoya Vaverka, April Susan

    Resolving open questions regarding transport in nanostructures can have a huge impact on a broad range of future technologies such as light harvesting for energy. Silicon has potential to be used in many of these applications. Understanding how the band edges of nanostructures move as a function of size, surface termination and assembly is of fundamental importance in understanding the transport properties of these materials. In this thesis work I have investigated the change in the electronic structure of silicon nanoparticle assemblies as the surface termination is changed. Nanoparticles are synthesized using a thermal evaporation technique and sizes are determined using atomic force microscopy (AFM). By passivating the particles with molecules containing alcohol groups we are able to modify the size dependent band edge shifts. Both the valence and conduction bands are measured using synchrotron based x-ray absorption spectroscopy (XAS) and soft x-ray fluorescence (SXF) techniques. Particles synthesized via recrystallization of amorphous silicon/SiO2 multilayers of thicknesses below 10 rim are also investigated using the synchrotron techniques. These samples also show quantum confinement effects but the electronic structure is different from those synthesized via evaporation methods. The total bandgap is determined for all samples measured. The origins of these differences in the electronic structures are discussed.

  17. Characterization of the Electronic Structure of Silicon Nanoparticles Using X-ray Absorption and Emission

    SciTech Connect

    Vaverka, April Susan Montoya

    2008-01-01

    Resolving open questions regarding transport in nanostructures can have a huge impact on a broad range of future technologies such as light harvesting for energy. Silicon has potential to be used in many of these applications. Understanding how the band edges of nanostructures move as a function of size, surface termination and assembly is of fundamental importance in understanding the transport properties of these materials. In this thesis work I have investigated the change in the electronic structure of silicon nanoparticle assemblies as the surface termination is changed. Nanoparticles are synthesized using a thermal evaporation technique and sizes are determined using atomic force microscopy (AFM). By passivating the particles with molecules containing alcohol groups we are able to modify the size dependent band edge shifts. Both the valence and conduction bands are measured using synchrotron based x-ray absorption spectroscopy (XAS) and soft x-ray fluorescence (SXF) techniques. Particles synthesized via recrystallization of amorphous silicon/SiO2 multilayers of thicknesses below 10 nm are also investigated using the synchrotron techniques. These samples also show quantum confinement effects but the electronic structure is different from those synthesized via evaporation methods. The total bandgap is determined for all samples measured. The origins of these differences in the electronic structures are discussed.

  18. Probing the graphite band structure with resonant soft-x-ray fluorescence

    SciTech Connect

    Carlisle, J.A.; Shirley, E.L.; Hudson, E.A.

    1997-04-01

    Soft x-ray fluorescence (SXF) spectroscopy using synchrotron radiation offers several advantages over surface sensitive spectroscopies for probing the electronic structure of complex multi-elemental materials. Due to the long mean free path of photons in solids ({approximately}1000 {angstrom}), SXF is a bulk-sensitive probe. Also, since core levels are involved in absorption and emission, SXF is both element- and angular-momentum-selective. SXF measures the local partial density of states (DOS) projected onto each constituent element of the material. The chief limitation of SXF has been the low fluorescence yield for photon emission, particularly for light elements. However, third generation light sources, such as the Advanced Light Source (ALS), offer the high brightness that makes high-resolution SXF experiments practical. In the following the authors utilize this high brightness to demonstrate the capability of SXF to probe the band structure of a polycrystalline sample. In SXF, a valence emission spectrum results from transitions from valence band states to the core hole produced by the incident photons. In the non-resonant energy regime, the excitation energy is far above the core binding energy, and the absorption and emission events are uncoupled. The fluorescence spectrum resembles emission spectra acquired using energetic electrons, and is insensitive to the incident photon`s energy. In the resonant excitation energy regime, core electrons are excited by photons to unoccupied states just above the Fermi level (EF). The absorption and emission events are coupled, and this coupling manifests itself in several ways, depending in part on the localization of the empty electronic states in the material. Here the authors report spectral measurements from highly oriented pyrolytic graphite.

  19. On the sub-band gap optical absorption in heat treated cadmium sulphide thin film deposited on glass by chemical bath deposition technique

    SciTech Connect

    Chattopadhyay, P.; Karim, B.; Guha Roy, S.

    2013-12-28

    The sub-band gap optical absorption in chemical bath deposited cadmium sulphide thin films annealed at different temperatures has been critically analyzed with special reference to Urbach relation. It has been found that the absorption co-efficient of the material in the sub-band gap region is nearly constant up to a certain critical value of the photon energy. However, as the photon energy exceeds the critical value, the absorption coefficient increases exponentially indicating the dominance of Urbach rule. The absorption coefficients in the constant absorption region and the Urbach region have been found to be sensitive to annealing temperature. A critical examination of the temperature dependence of the absorption coefficient indicates two different kinds of optical transitions to be operative in the sub-band gap region. After a careful analyses of SEM images, energy dispersive x-ray spectra, and the dc current-voltage characteristics, we conclude that the absorption spectra in the sub-band gap domain is possibly associated with optical transition processes involving deep levels and the grain boundary states of the material.

  20. Characterization of NH overtone and combination bands in the near-infrared absorption spectra of simple cyclic imides

    NASA Astrophysics Data System (ADS)

    McNeilly, Patrick J.; Andrea, Tariq A.; Krikorian, S. Edward

    1992-10-01

    Bands due to overtone and combination vibrational modes attributable to the imide grouping have been elucidated in the near-IR absorption spectra of small-ring cyclic imides, in which the grouping is in a cis, cis conformation. The spectra closely parallel the spectra of cis lactams except that two combination modes involving the carbonyl stretching fundamental, [ν(NH) + ν(CO)] and [2ν(C=O) + imide III], occur at higher wavenumbers in the imide spectra, reflecting the higher frequency at which this fundamental absorbs. This same factor results in a reversal in the wavenumber positions of the [2ν(CO) + imide III] and [ν(NH) + imide III] combination bands in the imide spectra relative to those in the lactam spectra. In addition, in-phase and out-of-phase vibrational coupling between the two carbonyl groups in the imides may compound the band due to the [ν(NH) + ν(CO)] combination mode. These three spectral characteristics serve to distinguish the imides from the lactams in the near-IR.

  1. Effect of tool eccentricity on surface periodic banded structures in friction stir welding

    NASA Astrophysics Data System (ADS)

    Guo, N.; Wang, M. R.; Meng, Q.; Zhou, L.; Tang, D. Y.

    2015-12-01

    This paper describes the relationship between tool eccentricity and surface formation of periodic banded structures in friction stir welding. Motion characteristics of welding tool are calculated to explore the forming mechanism of banded structures. The results reveal that the welding tool motion differences on advancing side and retreating side caused by eccentricity are crucial for the formation of banded structures. The crests and troughs of banded structures form during tool motion on retreating side and advancing side, respectively.

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

    SciTech Connect

    Sudeep, P. M.; Vinayasree, S.; Mohanan, P.; Ajayan, P. M.; Narayanan, T. N.; Anantharaman, M. R.

    2015-06-01

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

  3. A History of X-ray absorption fine structure

    NASA Astrophysics Data System (ADS)

    Stumm von Bordwehr, R.

    This historical account of X-ray absorption fine structure (XAFS) spectroscopy from the origin to 1975 begins with the first observations of X-ray absorption edges and the experimental setups used at the turn of the century. Then, the discovery of XAFS and Kossel's early interpretation are discussed. A close look is taken at the three outstanding papers written by Kronig to explain XAFS in solids and molecules. Petersen's development of XAFS in molecules and Smoluchowski's investigation of XAFS in crystals during the thirties are reviewed. Then, the Japanese and Soviet contributions to X-ray absorption spectroscopy up to the sixties are described. We conclude with the advent of the present understanding of XAFS developed in the early seventies. Although many experiments are presented, we emphasize the conceptual evolution of the interpretation of XAFS, including false steps and overlooked works. Cette histoire de la spectroscopie de structure fine des seuils d'absorption X (XAFS) des origines à 1975 commence par présenter les premières observations de seuils d'absorption X ainsi que les dispositifs expérimentaux utilisés au début du siècle. Puis on décrit la découverte des structures fines et l'interprétation qu'en donne Kossel. On discute en details les trois remarquables articles écrits par Kronig pour expliquer les XAFS dans les solides et les molécules. On montre comment Petersen a développé la théorie des XAFS des molécules et Smoluchowski celle des cristaux. Puis on passe en revue les contributions japonaises et soviétiques à cette spectroscopie jusqu'aux années soixante. On conclut par la description de la théorie actuelle des XAFS qui s'est développée au début des années soixante-dix. Bien que décrivant des nombreuses expériences, ce travail met l'accent sur l'évolution conceptuelle de l'interprétation des XAFS, en tenant compte des faux pas et des contributions négligées.

  4. Multilayer Cloud Detection with the MODIS Near-Infrared Water Vapor Absorption Band

    NASA Technical Reports Server (NTRS)

    Wind, Galina; Platnick, Steven; King, Michael D.; Hubanks, Paul A,; Pavolonis, Michael J.; Heidinger, Andrew K.; Yang, Ping; Baum, Bryan A.

    2009-01-01

    Data Collection 5 processing for the Moderate Resolution Imaging Spectroradiometer (MODIS) onboard the NASA Earth Observing System EOS Terra and Aqua spacecraft includes an algorithm for detecting multilayered clouds in daytime. The main objective of this algorithm is to detect multilayered cloud scenes, specifically optically thin ice cloud overlying a lower-level water cloud, that presents difficulties for retrieving cloud effective radius using single layer plane-parallel cloud models. The algorithm uses the MODIS 0.94 micron water vapor band along with CO2 bands to obtain two above-cloud precipitable water retrievals, the difference of which, in conjunction with additional tests, provides a map of where multilayered clouds might potentially exist. The presence of a multilayered cloud results in a large difference in retrievals of above-cloud properties between the CO2 and the 0.94 micron methods. In this paper the MODIS multilayered cloud algorithm is described, results of using the algorithm over example scenes are shown, and global statistics for multilayered clouds as observed by MODIS are discussed. A theoretical study of the algorithm behavior for simulated multilayered clouds is also given. Results are compared to two other comparable passive imager methods. A set of standard cloudy atmospheric profiles developed during the course of this investigation is also presented. The results lead to the conclusion that the MODIS multilayer cloud detection algorithm has some skill in identifying multilayered clouds with different thermodynamic phases

  5. Energy absorption characteristics of lightweight structural member by stacking conditions

    NASA Astrophysics Data System (ADS)

    Choi, Juho; Yang, Yongjun; Hwang, Woochae; Pyeon, Seokbeom; Min, Hanki; Yeo, Ingoo; Yang, Inyoung

    2012-04-01

    The recent trend in vehicle design is aimed at improving crash safety and environmental-friendliness. To solve these issues, the needs for lighter vehicle to limit exhaust gas and improve fuel economy has been requested for environmental-friendliness. Automobile design should be made for reduced weight once the safety of vehicle is maintained. In this study, composite structural members were manufactured using carbon fiber reinforced plastic (CFRP) which are representative lightweight structural materials. Carbon fiber has been researched as alternative to metals for lightweight vehicle and better fuel economy. CFRP is an anisotropic material which is the most widely adapted lightweight structural member because of their inherent design flexibility and high specific strength and stiffness. Also, variation of CFRP interface number is important to increase the energy absorption capacity. In this study, one type of circular shaped composite tube was used, combined with reinforcing foam. The stacking condition was selected to investigate the effect of the fiber orientation angle and interface number. The crashworthy behavior of circular composite material tubes subjected to static axial compression under same conditions is reported. The axial static collapse tests were carried out for each section member. The collapse modes and the energy absorption capability of the members were analyzed.

  6. Energy absorption characteristics of lightweight structural member by stacking conditions

    NASA Astrophysics Data System (ADS)

    Choi, Juho; Yang, Yongjun; Hwang, Woochae; Pyeon, Seokbeom; Min, Hanki; Yeo, Ingoo; Yang, Inyoung

    2011-11-01

    The recent trend in vehicle design is aimed at improving crash safety and environmental-friendliness. To solve these issues, the needs for lighter vehicle to limit exhaust gas and improve fuel economy has been requested for environmental-friendliness. Automobile design should be made for reduced weight once the safety of vehicle is maintained. In this study, composite structural members were manufactured using carbon fiber reinforced plastic (CFRP) which are representative lightweight structural materials. Carbon fiber has been researched as alternative to metals for lightweight vehicle and better fuel economy. CFRP is an anisotropic material which is the most widely adapted lightweight structural member because of their inherent design flexibility and high specific strength and stiffness. Also, variation of CFRP interface number is important to increase the energy absorption capacity. In this study, one type of circular shaped composite tube was used, combined with reinforcing foam. The stacking condition was selected to investigate the effect of the fiber orientation angle and interface number. The crashworthy behavior of circular composite material tubes subjected to static axial compression under same conditions is reported. The axial static collapse tests were carried out for each section member. The collapse modes and the energy absorption capability of the members were analyzed.

  7. The first UV absorption band of l-tryptophan is not due to two simultaneous orthogonal electronic transitions differing in the dipole moment.

    PubMed

    Catalán, Javier

    2016-06-01

    Based on UV/Vis spectroscopic evidence obtained in this work, the first band in the absorption spectrum of l-tryptophan is largely due to a single electronic transition from the ground state to the (1)Lb excited state. However, emission spectra of this compound recorded at a variable temperature in ethanol, n-butanol and diethyl ether are structureless and considerably red-shifted at room temperature; also, lowering the temperature causes the emission to become structured and to undergo such a strong blue shift that it appears to be due to the (1)Lb state of the compound. Based on these findings, the formation (from the excited (1)Lb state) of the excited state responsible for the structureless, markedly red-shifted emission in l-tryptophan is strongly dependent not only on the viscosity of the medium, but also on its dipolarity. PMID:27197597

  8. Structural Evolution of a Warm Frontal Precipitation Band During GCPEx

    NASA Technical Reports Server (NTRS)

    Colle, Brian A.; Naeger, Aaron; Molthan, Andrew; Nesbitt, Stephen

    2015-01-01

    A warm frontal precipitation band developed over a few hours 50-100 km to the north of a surface warm front. The 3-km WRF was able to realistically simulate band development, although the model is somewhat too weak. Band genesis was associated with weak frontogenesis (deformation) in the presence of weak potential and conditional instability feeding into the band region, while it was closer to moist neutral within the band. As the band matured, frontogenesis increased, while the stability gradually increased in the banding region. Cloud top generating cells were prevalent, but not in WRF (too stable). The band decayed as the stability increased upstream and the frontogenesis (deformation) with the warm front weakened. The WRF may have been too weak and short-lived with the band because too stable and forcing too weak (some micro issues as well).

  9. Transient magneto-photoinduced absorption study of singlet fission in low band gap copolymers

    NASA Astrophysics Data System (ADS)

    Huynh, Uyen; Vardeny, Z. Valy

    2015-03-01

    We have observed the existence of singlet fission in thin films of low band gap (LBG) copolymers, PDTP-DFBT and PTB7, using the ultrafast optical pump/probe spectroscopy, probed at the energy range from IR to MIR. The singlet fission is the dissociation of a singlet exciton into two triplets through an intermediate triplet pair state (TT pair) in an overall singlet configuration; in the studied copolymers, it was observed to be very fast, in femtosecond time domain. The intermediate TT state, which dissociates into two separated triplets at later time, or recombines to the ground state appears instantaneously with the singlet exciton formation using our laser system that has ~ 150 fs time resolution. The interplay between the rate of singlet fission into sTT pairs, triplet fusion back to singlet excitons and relaxation between the TT spin sublevels explains the obtained opposite pattern of the transient magnetic field response on the dynamics of singlet excitons and TT pairs.

  10. Proposal of high efficiency solar cells with closely stacked InAs/In{sub 0.48}Ga{sub 0.52}P quantum dot superlattices: Analysis of polarized absorption characteristics via intermediate–band

    SciTech Connect

    Yoshikawa, H. Kotani, T.; Kuzumoto, Y.; Izumi, M.; Tomomura, Y.; Hamaguchi, C.

    2014-07-07

    We present a theoretical study of the electronic structures and polarized absorption properties of quantum dot superlattices (QDSLs) using wide–gap matrix material, InAs/In{sub 0.48}Ga{sub 0.52}P QDSLs, for realizing intermediate–band solar cells (IBSCs) with two–step photon–absorption. The plane–wave expanded Burt–Foreman operator ordered 8–band k·p theory is used for this calculation, where strain effect and piezoelectric effect are taken into account. We find that the absorption spectra of the second transitions of two–step photon–absorption can be shifted to higher energy region by using In{sub 0.48}Ga{sub 0.52}P, which is lattice–matched material to GaAs substrate, as a matrix material instead of GaAs. We also find that the transverse magnetic polarized absorption spectra in InAs/In{sub 0.48}Ga{sub 0.52}P QDSL with a separate IB from the rest of the conduction minibands can be shifted to higher energy region by decreasing the QD height. As a result, the second transitions of two–step photon–absorption by the sunlight occur efficiently. These results indicate that InAs/In{sub 0.48}Ga{sub 0.52}P QDSLs are suitable material combination of IBSCs toward the realization of ultrahigh efficiency solar cells.

  11. Depolarisation of light scattered by disperse systems of low-dimensional potassium polytitanate nanoparticles in the fundamental absorption band

    SciTech Connect

    Zimnyakov, D A; Yuvchenko, S A; Pravdin, A B; Kochubey, V I; Gorokhovsky, A V; Tretyachenko, E V; Kunitsky, A I

    2014-07-31

    The results of experimental studies of depolarising properties of disperse systems on the basis of potassium polytitanate nanoplatelets and nanoribbons in the visible and near-UV spectral regions are presented. It is shown that in the fundamental absorption band of the nanoparticle material the increase in the depolarisation factor takes place for the radiation scattered perpendicularly to the direction of the probing beam. For nanoribbons a pronounced peak of depolarisation is observed, which is caused by the essential anisotropy of the particles shape and the peculiarities of the behaviour of the material dielectric function. The empirical data are compared with the theoretical results for 'nanodiscs' and 'nanoneedles' with the model dielectric function, corresponding to that obtained from optical constants of the titanium dioxide dielectric function. (laser biophotonics)

  12. Band structure and the optical gain of GaInNAs/GaAs quantum wells modeled within 10-band and 8-band kp model

    NASA Astrophysics Data System (ADS)

    Gladysiewicz, M.; Kudrawiec, R.; Miloszewski, J. M.; Weetman, P.; Misiewicz, J.; Wartak, M. S.

    2013-02-01

    The band structure and optical gain have been calculated for GaInNAs/GaAs quantum wells (QWs) with various nitrogen concentrations within the 10-band and 8-band kp models. Two approaches to calculate optical properties of GaInNAs/GaAs QWs have been compared and discussed in the context of available material parameters for dilute nitrides and the conduction band nonparabolicity due to the band anti-crossing (BAC) interaction between the N-related resonant level and the conduction band of a host material. It has been clearly shown that this nonparabolicity can be neglected in optical gain calculations since the dispersion of conduction band up to the Femi level is very close to parabolic for carrier concentrations typical for laser operation, i.e., 5 × 1018 cm-3. This means that the 8-band kp model when used to calculate the optical gain is very realistic and much easier to apply in QWs containing new dilute nitrides for which the BAC parameters are unknown. In such an approach, the energy gap and electron effective mass for N-containing materials are needed, instead of BAC parameters. These parameters are available experimentally much easier than BAC parameters.

  13. Influence of Structural Parameters on a Novel Metamaterial Absorber Structure at K-band Frequency

    NASA Astrophysics Data System (ADS)

    Cuong, Tran Manh; Thuy, Nguyen Thi; Tuan, Le Anh

    2016-05-01

    Metamaterials nowadays continue to gain attention thanks to their special electromagnetic characteristics. An increasing number of studies are being conducted on the absolute electromagnetic absorber configurations of high impedance surface materials at a certain frequency band. These configurations are usually fabricated with a layer of metal structure based on a dielectric sheet. In this study, we present an optimal design of a novel electromagnetic absorber metamaterial configuration working at a 23-GHz frequency range (K band).

  14. Analysis of the electronic structure of crystals through band structure unfolding

    NASA Astrophysics Data System (ADS)

    Gordienko, A. B.; Kosobutsky, A. V.

    2016-03-01

    In this work, we consider an alternative implementation of the band structure unfolding method within the framework of the density functional theory, which combines the advantages of the basis of localized functions and plane waves. This approach has been used to analyze the electronic structure of the ordered CuCl x Br1- x copper halide alloys and F 0 center in MgO that enables us to reveal qualitatively the features remaining hidden when using the standard supercell method, because of the complex band structure of systems with defects.

  15. Invariant expansion for the trigonal band structure of graphene

    NASA Astrophysics Data System (ADS)

    Winkler, R.; Zülicke, U.

    2010-12-01

    We present a symmetry analysis of the trigonal band structure in graphene, elucidating the transformational properties of the underlying basis functions and the crucial role of time-reversal invariance. Group theory is used to derive an invariant expansion of the Hamiltonian for electron states near the K points of the graphene Brillouin zone. Besides yielding the characteristic k -linear dispersion and higher oder corrections to it, this approach enables the systematic incorporation of all terms arising from external electric and magnetic fields, strain, and spin-orbit coupling up to any desired order. Several new contributions are found, in addition to reproducing results obtained previously within tight-binding calculations. Physical ramifications of these new terms are discussed.

  16. Phononic and photonic band gap structures: modelling and applications

    NASA Astrophysics Data System (ADS)

    Armenise, Mario N.; Campanella, Carlo E.; Ciminelli, Caterina; Dell'Olio, Francesco; Passaro, Vittorio M. N.

    2010-01-01

    Photonic crystals (PhCs) are artificial materials with a permittivity which is a periodic function of the position, with a period comparable to the wavelength of light. The most interesting characteristic of such materials is the presence of photonic band gaps (PBGs). PhCs have very interesting properties of light confinement and localization together with the strong reduction of the device size, orders of magnitude less than the conventional photonic devices, allowing a potential very high scale of integration. These structures possess unique characteristics enabling to operate as optical waveguides, high Q resonators, selective filters, lens or superprism. The ability to mould and guide light leads naturally to novel applications in several fields. Band gap formation in periodic structures also pertains to elastic wave propagation. Composite materials with elastic coefficients which are periodic functions of the position are named phononic crystals. They have properties similar to those of photonic crystals and corresponding applications too. By properly choosing the parameters one may obtain phononic crystals (PhnCs) with specific frequency gaps. An elastic wave, whose frequency lies within an absolute gap of a phononic crystal, will be completely reflected by it. This property allows realizing non-absorbing mirrors of elastic waves and vibration-free cavities which might be useful in high-precision mechanical systems operating in a given frequency range. Moreover, one can use elastic waves to study phenomena such as those associated with disorder, in more or less the same manner as with electromagnetic waves. The authors present in this paper an introductory survey of the basic concepts of these new technologies with particular emphasis on their main applications, together with a description of some modelling approaches.

  17. Role of interface band structure on hot electron transport

    NASA Astrophysics Data System (ADS)

    Garramone, John J.

    Knowledge of electron transport through materials and interfaces is fundamentally and technologically important. For example, metal interconnects within integrated circuits suffer increasingly from electromigration and signal delay due to an increase in resistance from grain boundary and sidewall scattering since their dimensions are becoming shorter than the electron mean free path. Additionally, all semiconductor based devices require the transport of electrons through materials and interfaces where scattering and parallel momentum conservation are important. In this thesis, the inelastic and elastic scattering of hot electrons are studied in nanometer thick copper, silver and gold films deposited on silicon substrates. Hot electrons are electron with energy greater than kBT above the Fermi level (EF). This work was performed utilizing ballistic electron emission microscopy (BEEM) which is a three terminal scanning tunneling microscopy (STM) technique that measures the percentage of hot electrons transmitted across a Schottky barrier interface. Hot electron attenuation lengths of the metals were extracted by measuring the BEEM current as a function of metal overlayer thickness for both hot electron and hot hole injection at 80 K and under ultra high vacuum. The inelastic and elastic scattering lengths were extracted by fitting the energetic dependence of the measured attenuation lengths to a Fermi liquid based model. A sharp increase in the attenuation length is observed at low injection energies, just above the Schottky barrier height, only for metals on Si(001) substrates. In contrast, the attenuation length measured on Si(111) substrates shows a sharp decrease. These results indicate that interface band structure and parallel momentum conservation have significant impact upon the transport of hot electrons across non epitaxial metal-semiconductor interfaces. In addition, they help to separate effects upon hot electron transport that are inherent to the metal

  18. X-ray absorption and reflection as probes of the GaN conduction bands: Theory and experiment of the N K-edge and Ga M{sub 2,3} edges

    SciTech Connect

    Lambrecht, W.R.L.; Rashkeev, S.N.; Segall, B.; Lawniczak-Jablonska, K.; Suski, T.; Gullikson, E.M.; Underwood, J.H.; Perera, R.C.C.; Rife, J.C.

    1997-12-31

    X-ray absorption and glancing angle reflectivity measurements in the energy range of the Nitrogen K-edge and Gallium M{sub 2,3} edges are reported. Linear muffin-tin orbital band-structure and spectral function calculations are used to interpret the data. Polarization effects are evidenced for the N-K-edge spectra by comparing X-ray reflectivity in s- and p-polarized light.

  19. Intervalence-Band Absorption Saturation And Optically Induced Damage Of GaAs By Pulsed CO2 Laser Radiation

    NASA Astrophysics Data System (ADS)

    James, R. B.; Christie, W. H.; Eby, R. E.; Darken, L. S.; Mills, B. E.

    1985-11-01

    The absorption of CO2, laser radiation in p-type GaAs is dominated by direct free-hole transitions between states in the heavy- and light-hole bands. For laser intensities on the order of 10 MW/cm2, the absorption associated with these transitions in moderately Zn-doped GaAs begins to saturate in a manner predicted by an inhomogeneously broadened two-level model. For heavily Zn-doped samples (>1018 cm -3), large areas of the surface are found to melt at comparable laser energy densities, in contrast to the lightly doped samples in which the damage initially occurs in small localized sites. As the energy density of the CO2 laser radiation is progressively increased, the surface topography of the samples shows signs of ripple patterns, high local stress, vaporization of material, and exfoliation of solid GaAs fragments. X-ray emission data taken on the laser-melted samples show that there is a loss of As, compared to Ga, from the surface during the high temperature cycling. Secondary ion mass spectrometry (SIMS) measurements are used to study the diffusion of oxygen from the native oxide and the incorporation of trapped oxygen in the near-surface region of the GaAs samples that have been melted by a CO2 laser pulse. We find that oxygen trapping does occur, and that the amount and depth of the oxygen signal depends on the laser energy density and number of laser shots.

  20. Ultrafast Time-Resolved Emission and Absorption Spectra of meso-Pyridyl Porphyrins upon Soret Band Excitation Studied by Fluorescence Up-Conversion and Transient Absorption Spectroscopy.

    PubMed

    Venkatesh, Yeduru; Venkatesan, M; Ramakrishna, B; Bangal, Prakriti Ranjan

    2016-09-01

    A comprehensive study of ultrafast molecular relaxation processes of isomeric meso-(pyridyl) porphyrins (TpyPs) has been carried out by using femtosecond time-resolved emission and absorption spectroscopic techniques upon pumping at 400 nm, Soret band (B band or S2), in 4:1 dichloromethane (DCM) and tetrahydrofuran (THF) solvent mixture. By combined studies of fluorescence up-conversion, time-correlated single photon counting, and transient absorption spectroscopic techniques, a complete model with different microscopic rate constants associated with elementary processes involved in electronic manifolds has been reported. Besides, a distinct coherent nuclear wave packet motion in Qy state is observed at low-frequency mode, ca. 26 cm(-1) region. Fluorescence up-conversion studies constitute ultrafast time-resolved emission spectra (TRES) over the whole emission range (430-710 nm) starting from S2 state to Qx state via Qy state. Careful analysis of time profiles of up-converted signals at different emission wavelengths helps to reveal detail molecular dynamics. The observed lifetimes are as indicated: A very fast decay component with 80 ± 20 fs observed at ∼435 nm is assigned to the lifetime of S2 (B) state, whereas being a rise component in the region of between 550 and 710 nm emission wavelength pertaining to Qy and Qx states, it is attributed to very fast internal conversion (IC) occurring from B → Qy and B → Qx as well. Two distinct components of Qy emission decay with ∼200-300 fs and ∼1-1.5 ps time constants are due to intramolecular vibrational redistribution (IVR) induced by solute-solvent inelastic collisions and vibrational redistribution induced by solute-solvent elastic collision, respectively. The weighted average of these two decay components is assigned as the characteristic lifetime of Qy, and it ranges between 0.3 and 0.5 ps. An additional ∼20 ± 2 ps rise component is observed in Qx emission, and it is assigned to the formation time of

  1. The Fundamental Quadrupole Band of (14)N2: Line Positions from High-Resolution Stratospheric Solar Absorption Spectra

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Zander, R.; Goldman, A.; Murcray, F. J.; Murcray, D. G.; Grunson, M. R.; Farmer, C. B.

    1991-01-01

    The purpose of this note is to report accurate measurements of the positions of O- and S-branch lines of the (1-0) vibration-rotation quadrupole band of molecular nitrogen ((14)N2) and improved Dunham coefficients derived from a simultaneous least-squares analysis of these measurements and selected infrared and far infrared data taken from the literature. The new measurements have been derived from stratospheric solar occultation spectra recorded with Fourier transform spectrometer (FTS) instruments operated at unapodized spectral resolutions of 0.002 and 0.01 /cm. The motivation for the present investigation is the need for improved N2 line parameters for use in IR atmospheric remote sensing investigations. The S branch of the N2 (1-0) quadrupole band is ideal for calibrating the line-of-sight airmasses of atmospheric spectra since the strongest lines are well placed in an atmospheric window, their absorption is relatively insensitive to temperature and is moderately strong (typical line center depths of 10 to 50% in high-resolution ground-based solar spectra and in lower stratospheric solar occultation spectra), and the volume mixing ratio of nitrogen is constant in the atmosphere and well known. However, a recent investigation has'shown the need to improve the accuracies of the N2 fine positions, intensities, air-broadened half-widths, and their temperature dependences to fully exploit this calibration capability (1). The present investigation addresses the problem of improving the accuracy of the N2 line positions.

  2. Nonlinear polarization spectroscopy in the frequency domain of light-harvesting complex II: absorption band substructure and exciton dynamics.

    PubMed Central

    Lokstein, H; Leupold, D; Voigt, B; Nowak, F; Ehlert, J; Hoffmann, P; Garab, G

    1995-01-01

    Spectral substructure and ultrafast excitation dynamics have been investigated in the chlorophyll (Chl) a and b Qy region of isolated plant light-harvesting complex II (LHC II). We demonstrate the feasibility of Nonlinear Polarization Spectroscopy in the frequency domain, a novel photosynthesis research laser spectroscopic technique, to determine not only ultrafast population relaxation (T1) and dephasing (T2) times, but also to reveal the complex spectral substructure in the Qy band as well as the mode(s) of absorption band broadening at room temperature (RT). The study gives further direct evidence for the existence of up to now hypothetical "Chl forms". Of particular interest is the differentiated participation of the Chl forms in energy transfer in trimeric and aggregated LHC II. Limits for T2 are given in the range of a few ten fs. Inhomogeneous broadening does not exceed the homogeneous widths of the subbands at RT. The implications of the results for the energy transfer mechanisms in the antenna are discussed. PMID:8534824

  3. Visible-band (390-940nm) monitoring of the Pluto absorption spectrum during the New Horizons encounter

    NASA Astrophysics Data System (ADS)

    Smith, Robert J.; Marchant, Jonathan M.

    2015-11-01

    Whilst Earth-based observations obviously cannot compete with New Horizons’ on-board instrumentation in most regards, the New Horizons data set is essentially a snapshot of Pluto in July 2015. The New Horizons project team therefore coordinated a broad international observing campaign to provide temporal context and to take advantage of the once-in-a-lifetime opportunity to directly link our Earth-based view of Pluto with “ground truth” provided by in situ measurements. This both adds value to existing archival data sets and forms the basis of long term, monitoring as we watch Pluto recede from the Sun over the coming years. We present visible-band (390-940nm) monitoring of the Pluto absorption spectrum over the period July - October 2015 from the Liverpool Telescope (LT). In particular we wished to understand the well-known 6-day fluctuation in the methane ice absorption spectrum which is observable from Earth in relation to the never-before-available high resolution maps of the Pluto surface. The LT is a fully robotic 2.0m optical telescope that automatically and dynamically schedules observations across 30+ observing programmes with a broad instrument suite. It is ideal for both reactive response to dynamic events (such as the fly-by) and long term, stable monitoring with timing constraints individually optimised to the science requirements of each programme. For example past studies of the observed CH4 absorption variability have yielded ambiguity of whether they were caused by real physical changes or geometric observation constraints, in large part because of the uneven time sampling imposed by traditional telescope scheduling.

  4. Investigations of the Band Structure and Morphology of Nanostructured Surfaces

    NASA Astrophysics Data System (ADS)

    Knox, Kevin R.

    2011-12-01

    In this dissertation, I examine the electronic structure of two very different types of two-dimensional systems: valence band electrons in single layer graphene and electronic states created at the vacuum interface of single crystal copper surfaces. The characteristics of both electronic systems depend intimately on the morphology of the surfaces they inhabit. Thus, in addition to discussing the respective band structures of these systems, a significant portion of this dissertation will be devoted to measurements of the surface morphology of these systems. Free-standing exfoliated monolayer graphene is an ultra-thin flexible membrane and, as such, is known to exhibit large out-of-plane deformation due to substrate and adsorbate interaction as well as thermal vibrations and, possibly, intrinsic buckling. Such crystal deformation is known to limit mobility and increase local chemical reactivity. Additionally, deformations present a measurement challenge to researchers wishing to determine the band structure by angle-resolved photoemission since they limit electron coherence in such measurements. In this dissertation, I present low energy electron microscopy and micro probe diffraction measurements, which are used to image and characterize corrugation in SiO2-supported and suspended exfoliated graphene at nanometer length scales. Diffraction line-shape analysis reveals quantitative differences in surface roughness on length scales below 20 nm which depend on film thickness and interaction with the substrate. Corrugation decreases with increasing film thickness, reflecting the increased stiffness of multilayer films. Specifically, single-layer graphene shows a markedly larger short range roughness than multilayer graphene. Due to the absence of interactions with the substrate, suspended graphene displays a smoother morphology and texture than supported graphene. A specific feature of suspended single-layer films is the dependence of corrugation on both adsorbate load

  5. Photonic band structures of one-dimensional photonic crystals doped with plasma

    NASA Astrophysics Data System (ADS)

    Guo, B.; Xie, M. Q.; Peng, L.

    2012-07-01

    The photonic band structures (PBSs) of oblique incidence propagation in one-dimensional plasma-doped photonic crystals (PCs) are investigated carefully. When the lattice constant of plasma-doped PCs is less than the incident wavelength, the PC becomes anisotropic. Therefore, the dielectric constant of PC is converted into a complex tensor dielectric constant. This determines the PBSs of PCs. In the present paper, one-dimensional PCs are taken as an example to study both normal and absorption PBSs. Using both the effective medium approximation and the transfer matrix method, we can derive the dispersion relation for PCs. The dependence of the plasma filling factor on the effective dielectric constant and PBSs is calculated and discussed.

  6. X-band EMI shielding mechanisms and shielding effectiveness of high structure carbon black/polypropylene composites

    NASA Astrophysics Data System (ADS)

    Al-Saleh, Mohammed H.; Sundararaj, Uttandaraman

    2013-01-01

    The electromagnetic interference (EMI) shielding effectiveness (SE) and EMI shielding mechanisms of high structure carbon black (HS-CB)/polypropylene (PP) composites in the X-band frequency range were studied. Composite plates with three different thicknesses and five different electrical conductivities were studied. The reflection loss and absorption loss of the composites were quantified based on the electromagnetic radiation power balance. The results showed that for HS-CB/PP composites, absorption loss contribution to the overall attenuation is more than the contribution of the reflection loss. The ability of the theoretical model to predict the EMI shielding by reflection and absorption was found to be a function of the shielding plate thickness and conductivity.

  7. 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.

  8. Hyperspectral bands prediction based on inter-band spectral correlation structure

    NASA Astrophysics Data System (ADS)

    Ahmed, Ayman M.; Sharkawy, Mohamed El.; Elramly, Salwa H.

    2013-02-01

    Hyperspectral imaging has been widely studied in many applications; notably in climate changes, vegetation, and desert studies. However, such kind of imaging brings a huge amount of data, which requires transmission, processing, and storage resources for both airborne and spaceborne imaging. Compression of hyperspectral data cubes is an effective solution for these problems. Lossless compression of the hyperspectral data usually results in low compression ratio, which may not meet the available resources; on the other hand, lossy compression may give the desired ratio, but with a significant degradation effect on object identification performance of the hyperspectral data. Moreover, most hyperspectral data compression techniques exploits the similarities in spectral dimensions; which requires bands reordering or regrouping, to make use of the spectral redundancy. In this paper, we analyze the spectral cross correlation between bands for AVIRIS and Hyperion hyperspectral data; spectral cross correlation matrix is calculated, assessing the strength of the spectral matrix, we propose new technique to find highly correlated groups of bands in the hyperspectral data cube based on "inter band correlation square", and finally, we propose a new technique of band regrouping based on correlation values weights for different group of bands as network of correlation.

  9. Band-structure analysis from photoreflectance spectroscopy in (Ga,Mn)As

    SciTech Connect

    Yastrubchak, Oksana; Gluba, Lukasz; Zuk, Jerzy; Wosinski, Tadeusz; Andrearczyk, Tomasz; Domagala, Jaroslaw Z.; Sadowski, Janusz

    2013-12-04

    Modulation photoreflectance spectroscopy has been applied to study the band-structure evolution in (Ga,Mn)As epitaxial layers with increasing Mn content. Structural and magnetic properties of the layers were characterized with high-resolution X-ray diffractometry and SQUID magnetometery, respectively. The revealed results of decrease in the band-gap-transition energy in the (Ga,Mn)As layers with increasing Mn content are interpreted in terms of a disordered valence band, extended within the band gap, formed, in highly Mn-doped (Ga,Mn)As, as a result of merging the Mn-related impurity band with the host GaAs valence band.

  10. CMOS color image sensor with overlaid organic photoconductive layers having narrow absorption band

    NASA Astrophysics Data System (ADS)

    Takada, Shunji; Ihama, Mikio; Inuiya, Masafumi; Komatsu, Takashi; Saito, Takahiro

    2007-02-01

    At EI2006, we proposed the CMOS image sensor, which was overlaid with organic photoconductive layers in order to incorporate in it large light-capturing ability of a color film owing to its multiple-layer structure, and demonstrated the pictures taken by the trial product of the proposed CMOS image sensor overlaid with an organic layer having green sensitivity. In this study, we have tried to get the optimized spectral sensitivity for the proposed CMOS image sensor by means of the simulation to minimize the color difference between the original Macbeth chart and its reproduction with the spectral sensitivity of the sensor as a parameter. As a result, it has been confirmed that the proposed CMOS image sensor with multiple-layer structure possesses high potential capability in terms of imagecapturing efficiency when it is provided with the optimized spectral sensitivity.

  11. Band structure of ABC-trilayer graphene superlattice

    SciTech Connect

    Uddin, Salah Chan, K. S.

    2014-11-28

    We investigate the effect of one-dimensional periodic potentials on the low energy band structure of ABC trilayer graphene first by assuming that all the three layers have the same potential. Extra Dirac points having the same electron hole crossing energy as that of the original Dirac point are generated by superlattice potentials with equal well and barrier widths. When the potential height is increased, the numbers of extra Dirac points are increased. The dispersions around the Dirac points are not isotropic. It is noted that the dispersion along the k{sub y} direction for k{sub x} = 0 oscillates between a non-linear dispersion and a linear dispersion when the potential height is increased. When the well and barrier widths are not identical, the symmetry of the conduction and valence bands is broken. The extra Dirac points are shifted either upward or downward depending on the barrier and well widths from the zero energy, while the position of the central Dirac point oscillates with the superlattice potential height. By considering different potentials for different layers, extra Dirac points are generated not from the original Dirac points but from the valleys formed in the energy spectrum. Two extra Dirac points appear from each pair of touched valleys, so four Dirac points appeared in the spectrum at particular barrier height. By increasing the barrier height of superlattice potential two Dirac points merge into the original Dirac point. This emerging and merging of extra Dirac points is different from the equal potential case.

  12. Electronic Structure measurements of MoS2 clusters using Soft x-ray absorption and Emission Spectrscopies

    NASA Astrophysics Data System (ADS)

    van Buuren, Tony; Bostedt, Christoph; Franco, Nicolas; Terminello, Lou; Wilcoxon, Jess

    2000-03-01

    The electronic structure of well defined MoS2 clusters was investigated using x-ray absorption and emission spectroscopes. MoS2 clusters from 1-10nm in diameter were formed using the inverse micelle synthetic process at room temperature in an inert oil. The cluster size and distribution could be precisely controlled using a high-pressure liquid chromatography system. By measuring the S 2p absorption were are able to measure the change in the conduction band edge of the MoS2 clusters as a function of particle size. We found that the conduction band edge was blue shifted with decreasing clusters size with shifts up to 1.2 eV measured for clusters 2nm in diameter. The valence band density of states was determined by measuring the soft x-ray emission from the S 2p core hole. A shift in the valence band edge together with a dramatic change in the density of states was observed with decreasing cluster size. For 2nm clusters a valence band shift of approximately 1.0 eV was measured. These results are compared to recent theoretical and optical measurments on MoS2 clusters. This work is supported by US Department of Energy under contract number DE-AC04-AL8500 and W-7405-ENG-48.

  13. Structure vs. excitonic transitions in self-assembled porphyrin nanotubes and their effect on light absorption and scattering.

    PubMed

    Arteaga, Oriol; Canillas, Adolf; El-Hachemi, Zoubir; Crusats, Joaquim; Ribó, Josep M

    2015-12-28

    The optical properties of diprotonated meso-tetrakis(4-sulphonatophenyl)porphyrin (TPPS(4)) J-aggregates of elongated thin particles (nanotubes in solution and ribbons when deposited on solid interfaces) are studied by different polarimetric techniques. The selective light extinction in these structures, which depends on the alignment of the nanoparticle with respect to the polarization of light, is contributed by excitonic absorption bands and by resonance light scattering. The optical response as a function of the polarization of light is complex because, although the quasi-one-dimensional structure confines the local fields along the nanotube axis, there are two orthogonal excitonic bands, of H- and J-character, that can work in favor of or against the field confinement. Results suggest that resonance light scattering is the dominant effect in solid state preparations, i.e. in collective groups (bundles) of ribbons but in diluted solutions, i.e. with isolated nanotubes, the absorption at the excitonic transitions remains dominant and linear dichroism spectra can be a direct probe of the exciton orientations. Therefore, by analyzing scattering and absorption data we can determine the alignment of the excitonic bands within the nanoparticle, i.e. of the orientation of the basic 2D porphyrin architecture in the nanoparticle. This is a necessary first step for understanding the directions of energy transport, charge polarization and non-linear optical properties in these materials. PMID:26584333

  14. Symmetry, distorted band structure, and spin-orbit coupling of group-III metal-monochalcogenide monolayers

    NASA Astrophysics Data System (ADS)

    Li, Pengke; Appelbaum, Ian

    2015-11-01

    The electronic structure of (group-III) metal-monochalcogenide monolayers exhibits many unusual features. Some, such as the unusually distorted upper valence-band dispersion we describe as a "caldera," are primarily the result of purely orbital interactions. Others, including spin splitting and wave-function spin mixing, are directly driven by spin-orbit coupling. We employ elementary group theory to explain the origin of these properties, and use a tight-binding model to calculate the phenomena enabled by them, such as the band-edge carrier effective g factors, optical absorption spectrum, conduction electron spin orientation, and a relaxation-induced upper-valence-band population inversion and spin polarization mechanism.

  15. Photonic bands in two-dimensional microplasma arrays. I. Theoretical derivation of band structures of electromagnetic waves

    SciTech Connect

    Sakai, Osamu; Sakaguchi, Takui; Tachibana, Kunihide

    2007-04-01

    Two theoretical approaches appropriate for two-dimensional plasma photonic crystals reveal dispersions of propagating waves including photonic (electromagnetic) band gaps and multiflatbands. A modified plane-wave expansion method yields dispersions of collisional periodical plasmas, and the complex-value solution of a wave equation by a finite difference method enables us to obtain dispersions with structure effects in an individual microplasma. Periodical plasma arrays form band gaps as well as normal photonic crystals, and multiflatbands are present below the electron plasma frequency in the transverse electric field mode. Electron elastic collisions lower the top frequency of the multiflatbands but have little effect on band gap properties. The spatial gradient of the local dielectric constant resulting from an electron density profile widens the frequency region of the multiflatbands, as demonstrated by the change of surface wave distributions. Propagation properties described in dispersions including band gaps and flatbands agree with experimental observations of microplasma arrays.

  16. Iron-absorption band analysis for the discrimination of iron-rich zones

    NASA Technical Reports Server (NTRS)

    Rowan, L. C. (Principal Investigator)

    1973-01-01

    The author has identified the following significant results. Study has concentrated on the two primary aspects of the project, structural analysis through evaluation of lineaments and circular features and spectral analyses through digital computer-processing techniques. Several previously unrecognized lineaments are mapped which may be the surface manifestations of major fault or fracture zones. Two of these, the Walker Lane and the Midas Trench lineament system, transect the predominantly NNE-NNW-trending moutain ranges for more than 500 km. Correlation of major lineaments with productive mining districts implies a genetic relationship, the 50 circular or elliptical features delineated suggest a related role for Tertiary volcanism. Color-ratio composites have been used to identify limonitic zones and to discriminate mafic and felsic rock by combing diazo color transparencies of three different ratios. EROS Data Center scene identification number for color composite in this report is ER 1 CC 500. Refinement of enhancement procedures for the ratio images is progressing. Fieldwork in coordination with both spectral and structural analyses is underway.

  17. Projected shell model study of band structure of 90Nb

    NASA Astrophysics Data System (ADS)

    Kumar, Amit; Singh, Dhanvir; Gupta, Anuradha; Singh, Suram; Bharti, Arun

    2016-05-01

    A systematic study of two-quasiparticle bands of the odd-odd 90Nb nucleus is performed using the projected shell model approach. Yrast band with some other bands have been obtained and back-bending in moment of inertia has also been calculated and compared with the available experimental. On comparing the available experimental data, it is found that the treatment with PSM provides a satisfactory explanation of the available data.

  18. Influence of banded structure on the mechanical properties of a high-strength maraging steel

    SciTech Connect

    Ahmed, M.; Salam, I.; Hashmi, F.H.; Khan, A.Q.

    1997-04-01

    Chemical inhomogeneity results in the formation of banded structure in high-strength maraging steels. Segregation of titanium and molybdenum was found to be the primary cause of banded structure formation. When the concentrations of these elements increased beyond certain critical levels, bands comprising different grain sizes formed. The inclusions existed preferentially along the interface of the bands. A high-temperature homogenization treatment substantially reduced or eliminated the banded structure. The large grain size resulting from the homogenization treatment was subsequently reduced by a grain refinement treatment. The mechanical properties of the steel substantially improved following homogenization and grain refinement.

  19. Fracture Induced Sub-Band Absorption as a Precursor to Optical Damage on Fused Silica Surfaces

    SciTech Connect

    Miller, P E; Bude, J D; Suratwala, T I; Shen, N; Laurence, T A; Steele, W A; Menapace, J; Feit, M D; Wong, L L

    2010-03-05

    The optical damage threshold of indentation induced flaws on fused silica surfaces was explored. Mechanical flaws were characterized by laser damaged testing, SEM, optical, and photoluminescence microscopy. Localized polishing, chemical etching, and the control of indentation morphology were used to isolate the structural features which limit optical damage. A thin defect layer on fracture surfaces, including those smaller than the wavelength of visible light, was found to be the dominant source of laser damage initiation during illumination with 355nm, 3ns laser pulses. Little evidence was found that either displaced or densified material or fluence intensification plays a significant role in optical damage at fluences >35J/cm{sup 2}. Elimination of the defect layer was shown to increase the overall damage performance of fused silica optics.

  20. Application of mid-infrared free-electron laser tuned to amide bands for dissociation of aggregate structure of protein.

    PubMed

    Kawasaki, Takayasu; Yaji, Toyonari; Ohta, Toshiaki; Tsukiyama, Koichi

    2016-01-01

    A mid-infrared free-electron laser (FEL) is a linearly polarized, high-peak powered pulse laser with tunable wavelength within the mid-infrared absorption region. It was recently found that pathogenic amyloid fibrils could be partially dissociated to the monomer form by the irradiation of the FEL targeting the amide I band (C=O stretching vibration), amide II band (N-H bending vibration) and amide III band (C-N stretching vibration). In this study, the irradiation effect of the FEL on keratin aggregate was tested as another model to demonstrate an applicability of the FEL for dissociation of protein aggregates. Synchrotron radiation infrared microscopy analysis showed that the α-helix content in the aggregate structure decreased to almost the same level as that in the monomer state after FEL irradiation tuned to 6.06 µm (amide I band). Both irradiations at 6.51 µm (amide II band) and 8.06 µm (amide III band) also decreased the content of the aggregate but to a lesser extent than for the irradiation at the amide I band. On the contrary, the irradiation tuned to 5.6 µm (non-absorbance region) changed little the secondary structure of the aggregate. Scanning-electron microscopy observation at the submicrometer order showed that the angular solid of the aggregate was converted to non-ordered fragments by the irradiation at each amide band, while the aggregate was hardly deformed by the irradiation at 5.6 µm. These results demonstrate that the amide-specific irradiation by the FEL was effective for dissociation of the protein aggregate to the monomer form. PMID:26698057

  1. Two-dimensional stanane: strain-tunable electronic structure, high carrier mobility, and pronounced light absorption.

    PubMed

    Liu, Xiuhong; Wang, Yu; Li, Feng; Li, Yafei

    2016-06-01

    By means of state-of-the-art density functional theory (DFT) computations, we systematically studied the structural, electronic, and optical properties of a novel two dimensional material, namely stanane (SnH). According to our computational results, stanane is semiconducting with a direct band gap of 1.00 eV, which can be flexibly tuned by applying an external strain. Remarkably, stanane has much higher electron and hole mobilities than those of a MoS2 monolayer at room temperature. Moreover, stanane has rather strong optical absorption in the visible as well as infrared regions of the solar spectrum. These results provide many useful insights for the wide application of stanane in electronics and optoelectronics. PMID:27181028

  2. Band structure engineering of anatase TiO{sub 2} by metal-assisted P-O coupling

    SciTech Connect

    Wang, Jiajun; Meng, Qiangqiang; Huang, Jing; School of Materials and Chemical Engineering, Anhui Jianzhu University, Hefei, Anhui 230601 ; Li, Qunxiang Yang, Jinlong; Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026

    2014-05-07

    In this work, we demonstrate that the metal-assisted P-O coupling is an effective approach to improve the photoelectrochemical properties of TiO{sub 2}. The (Sc + P) and (In + P) codoping effects on electronic structures and photocatalytic activities of anatase TiO{sub 2} are examined by performing hybrid density functional theory calculations. It is found that the coupling of P dopant with the second-nearest neighboring O atom assisted by acceptor metals (Sc/In) leads to the fully occupied and delocalized intermediate bands within the band gap of anatase TiO{sub 2}, which is driven by the P-O antibonding states (π*). This metal-assisted P-O coupling can prevent the recombination of photogenerated electron-hole pairs and effectively reduce the band gap of TiO{sub 2}. Moreover, the band edge alignments in (Sc + P) and (In + P) codoped anatase TiO{sub 2} are desirable for water-splitting. The calculated optical absorption curves indicate that (Sc + P) and (In + P) codoping in anatase TiO{sub 2} can also effectively enhance the visible light absorption.

  3. Band structure and optical transitions in LaFeO3: theory and experiment.

    PubMed

    Scafetta, Mark D; Cordi, Adam M; Rondinelli, James M; May, Steven J

    2014-12-17

    The optical absorption properties of LaFeO(3) (LFO) have been calculated using density functional theory and experimentally measured from several high quality epitaxial films using variable angle spectroscopic ellipsometry. We have analyzed the calculated absorption spectrum using different Tauc models and find the model based on a direct-forbidden transition gives the best agreement with the ab initio band gap energies and band dispersions. We have applied this model to the experimental data and determine the band gap of epitaxial LFO to be ∼2.34 eV, with a slight dependence on strain state. This approach has also been used to analyze the higher indirect transition at ∼3.4 eV. Temperature dependent ellipsometry measurements further confirm our theoretical analysis of the nature of the transitions. This works helps to provide a general approach for accurate determination of band gaps and transition energies in complex oxide materials. PMID:25406799

  4. Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu5Ta11O30 materials.

    PubMed

    Harb, Moussab; Masih, Dilshad; Takanabe, Kazuhiro

    2014-09-14

    We present a joint theoretical and experimental investigation of the optoelectronic properties of CuVO3, CuNbO3 and Cu5Ta11O30 materials for potential photocatalytic and solar cell applications. In addition to the experimental results obtained by powder X-ray diffraction and UV-Vis spectroscopy of the materials synthesized under flowing N2 gas at atmospheric pressure via solid-state reactions, the electronic structure and the UV-Vis optical absorption coefficient of these compounds are predicted with high accuracy using advanced first-principles quantum methods based on DFT (including the perturbation theory approach DFPT) within the screened coulomb hybrid HSE06 exchange-correlation formalism. The calculated density of states are found to be in agreement with the UV-Vis diffuse reflectance spectra, predicting a small indirect band gap of 1.4 eV for CuVO3, a direct band gap of 2.6 eV for CuNbO3, and an indirect (direct) band gap of 2.1 (2.6) eV for Cu5Ta11O30. It is confirmed that the Cu(I)-based multi-metal oxides possess a strong contribution of filled Cu(I) states in the valence band and of empty d(0) metal states in the conduction band. Interestingly, CuVO3 with its predicted small indirect band gap of 1.4 eV shows the highest absorption coefficient in the visible range with a broad absorption edge extending to 886 nm. This novel result offers a great opportunity for this material to be an excellent candidate for solar cell applications. PMID:25055167

  5. Global Kinetic Modeling of Banded Electron Structures in the Plasmasphere

    NASA Technical Reports Server (NTRS)

    Liemohn, M. W.; Khazanov, G. V.

    1997-01-01

    Significant fluxes of 10 eV to 30 keV electrons have been detected in the plasmasphere, appearing as banded structures in energy with broad spatial extents and slowly evolving over several days. It is thought that these populations are decaying plasma sheet electrons injected into the corotating region of near-Earth space. This capture can occur when the convective electric field drops rapidly and the Alfven boundary suddenly outward, trapping the inner edge of the plasma sheet along closed drift paths. Our bounce-averaged kinetic model of superthermal electron transport is able to simulate this capture and the subsequent drift, diffusion, and decay of the plasma cloud. Results of this simulation will be shown and discussed, from the initial injection during the elevated convection to the final loss of the particles. It is thought that not only Coulomb collisions but also wave-particle interactions play a significant role in altering the plasma cloud. Quasilinear diffusion is currently being incorporated into the model and the importance of this mechanism will be examined. Also, the high anisotropy of the trapped population could be unstable and generate plasma waves. These and other processes will be investigated to determine the final fate of the cloud and to quantify where, how, and when the energy of the plasma cloud is deposited. Comparisons with CRRES observations of these events are shown to verify the model and explain the data.

  6. Electronic band structure calculations of bismuth-antimony nanowires

    NASA Astrophysics Data System (ADS)

    Levin, Andrei; Dresselhaus, Mildred

    2012-02-01

    Alloys of bismuth and antimony received initial interest due to their unmatched low-temperature thermoelectric performance, and have drawn more recent attention as the first 3D topological insulators. One-dimensional bismuth-antimony (BiSb) nanowires display interesting quantum confinement effects, and are expected to exhibit even better thermoelectric properties than bulk BiSb. Due to the small, anisotropic carrier effective masses, the electronic properties of BiSb nanowires show great sensitivity to nanowire diameter, crystalline orientation, and alloy composition. We develop a theoretical model for calculating the band structure of BiSb nanowires. For a given crystalline orientation, BiSb nanowires can be in the semimetallic, direct semiconducting, or indirect semiconducting phase, depending on nanowire diameter and alloy composition. These ``phase diagrams'' turn out to be remarkably similar among the different orientations, which is surprising in light of the anisotropy of the bulk BiSb Fermi surface. We predict a novel direct semiconducting phase for nanowires with diameter less than ˜15 nm, over a narrow composition range. We also find that, in contrast to the bulk and thin film BiSb cases, a gapless state with Dirac dispersion cannot be realized in BiSb nanowires.

  7. Miniaturization of electromagnetic band gap structures for mobile applications

    NASA Astrophysics Data System (ADS)

    Goussetis, G.; Feresidis, A. P.; Palikaras, G. K.; Kitra, M.; Vardaxoglou, J. C.

    2005-12-01

    It is well known that interference of the human body affects the performance of the antennas in mobile phone handsets. In this contribution, we investigate the use of miniaturized metallodielectric electromagnetic band gap (MEBG) structures embedded in the case of a mobile handset as a means of decoupling the antenna from the user's hand. The closely coupled MEBG concept is employed to achieve miniaturization of the order of 15:1. Full wave dispersion relations for planar closely coupled MEBG arrays are presented and are validated experimentally. The performance of a prototype handset with an embedded conformal MEBG is assessed experimentally and is compared to a similar prototype without the MEBG. Reduction in the detuning of the antenna because of the human hand by virtue of the MEBG is demonstrated. Moreover, the efficiency of the handset when loaded with a human hand model is shown to improve when the MEBG is in place. The improvements are attributed to the decoupling of the antenna from the user's hand, which is achieved by means of suppressing the fields in the locality of the hand.

  8. Doping mode, band structure and photocatalytic mechanism of B-N-codoped TiO 2

    NASA Astrophysics Data System (ADS)

    Yuan, Jixiang; Wang, Enjun; Chen, Yongmei; Yang, Wensheng; Yao, Jianghong; Cao, Yaan

    2011-06-01

    The photocatalyst B and N codoped TiO 2 (B-N-TiO 2) was prepared via the sol-gel method by using boric acid and ammonia as B and N precursors. The doping mode, band structure and photocatalytic mechanism of B-N-TiO 2 were investigated well and elucidated in detail. B-N-TiO 2 showed the narrowed band gap and thus extended the optical absorption due to interstitial N and [NOB] species in the TiO 2 crystal lattice. The coexistence of interstitial N and [NOB] species in the TiO 2 crystal lattice and surface NO x species allowed the more efficient utilization of visible light. Simultaneously, interstitial [NOB] and N species and surface B 2O 3 and NO x species facilitated the separation of photo generated electrons and holes and suppress their recombination effectively. Hence, B-N-TiO 2 showed a higher photocatalytic activity than pure TiO 2, N-doped TiO 2 (N-TiO 2) and B-doped TiO 2 (B-TiO 2) under both UV and visible light irradiation.

  9. Energy Absorption Structure of Laser Supported Detonation Wave

    NASA Astrophysics Data System (ADS)

    Wang, Bin; Yamaguchi, Toshikazu; Hatai, Keigo; Komurasaki, Kimiya; Arakawa, Yoshihiro

    2010-05-01

    In Repetitive Pulsed (RP) laser propulsion, when the high energy laser beam is focused in the thruster, Laser Supported Detonation (LSD) wave is generated. This LSD wave converts the laser energy to the enthalpy of the blast wave, which will then apply impulse to the wall of the thruster. Therefore, the energy absorption structure and sustaining condition of LSD wave are important to be understood, which was still not clear though some visualized experiments have been conducted by Ushio et al. before. In this paper, 2-wavelength Mach-Zehnder interferometry is brought to investigate the electron density distribution of LSD area. At the same time, the temperature of the laser induced plasma is measured by an emission spectroscopy experiment, and calculated based on the assumption of local thermal equilibrium. The results show that in LSD, the electron density has a peak (as high as 2×1024[m-3]) behind the shock wave. The irradiated laser can be entirely absorbed before reaching the position of this peak. As a result, a new peak is always generating in front of the old one and this propagating has the same velocity as that of the blast wave. In this way, high heating ratio is sustained right after the shock front. However, as the laser pulse energy becomes lower, the propagating peak cannot catch up with the blast wave anymore, which leads to a termination of the LSD wave. From this study, it is found that for sustaining the LSD wave, a sufficiently thin laser absorption layer is necessary.

  10. Structure-absorption relationships of a series of 6-fluoroquinolones.

    PubMed Central

    Escribano, E; Calpena, A C; Garrigues, T M; Freixas, J; Domenech, J; Moreno, J

    1997-01-01

    The physicochemical constants and some structural parameters (topological, steric, and electronic) of eight third-generation monofluorate quinolones (six uncommercialized and two used clinically [ciprofloxacin and enrofloxacin]) were determined: pKa, intrinsic solubility (S0), chromatographic capacity factor, partition coefficient (P), valency molecular connectivity, molecular volume, molecular surface area, dipolar moment, and charges associated with each atom of the molecule. The apparent intestinal absorption rate constants (K(abs)) in rat (in vivo perfusion) and the MICs at which 90% of the isolates are inhibited (MIC90s) against 100 Escherichia coli strains were also determined. We sought to establish simple nonlinear and multiple linear correlations between K(abs), on the one hand, and lipophilic parameters and other physicochemical and structural parameters estimated. Of the nonlinear functions examined, the hyperbolic had the best correlation between K(abs) and P, which was in accordance with the Wagner-Sedman (J. G. Wagner and A. J. Sedman, J. Pharmacokinet. Biopharm. 1:23-50, 1973) equation, whereas, after application of the stepwise multiple linear regression method, a multiple linear correlation with some predictive value could be established only between K(abs) as a dependent variable and log P and log S0 as independent variables. In conclusion, the K(abs) and MIC90 of the quinolone CNV 8902 suggest that it is a sufficiently interesting compound to warrant the investigation of its potential therapeutic use orally. PMID:9303400

  11. Structure-absorption relationships of a series of 6-fluoroquinolones.

    PubMed

    Escribano, E; Calpena, A C; Garrigues, T M; Freixas, J; Domenech, J; Moreno, J

    1997-09-01

    The physicochemical constants and some structural parameters (topological, steric, and electronic) of eight third-generation monofluorate quinolones (six uncommercialized and two used clinically [ciprofloxacin and enrofloxacin]) were determined: pKa, intrinsic solubility (S0), chromatographic capacity factor, partition coefficient (P), valency molecular connectivity, molecular volume, molecular surface area, dipolar moment, and charges associated with each atom of the molecule. The apparent intestinal absorption rate constants (K(abs)) in rat (in vivo perfusion) and the MICs at which 90% of the isolates are inhibited (MIC90s) against 100 Escherichia coli strains were also determined. We sought to establish simple nonlinear and multiple linear correlations between K(abs), on the one hand, and lipophilic parameters and other physicochemical and structural parameters estimated. Of the nonlinear functions examined, the hyperbolic had the best correlation between K(abs) and P, which was in accordance with the Wagner-Sedman (J. G. Wagner and A. J. Sedman, J. Pharmacokinet. Biopharm. 1:23-50, 1973) equation, whereas, after application of the stepwise multiple linear regression method, a multiple linear correlation with some predictive value could be established only between K(abs) as a dependent variable and log P and log S0 as independent variables. In conclusion, the K(abs) and MIC90 of the quinolone CNV 8902 suggest that it is a sufficiently interesting compound to warrant the investigation of its potential therapeutic use orally. PMID:9303400

  12. Band structure parameters of metallic diamond from angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Guyot, H.; Achatz, P.; Nicolaou, A.; Le Fèvre, P.; Bertran, F.; Taleb-Ibrahimi, A.; Bustarret, E.

    2015-07-01

    The electronic band structure of heavily boron doped diamond was investigated by angle-resolved photoemission spectroscopy on (100)-oriented epilayers. A unique set of Luttinger parameters was deduced from a comparison of the experimental band structure of metallic diamond along the Δ (Γ X ) and Σ (Γ K ) high-symmetry directions of the reciprocal space, with theoretical band structure calculations performed both within the local density approximation and by an analytical k . p approach. In this way, we were able to describe the experimental band structure over a large three-dimensional region of the reciprocal space and to estimate hole effective masses in agreement with previous theoretical and experimental papers.

  13. Collision-Induced Absorption by H2 Pairs in the Second Overtone Band at 298 and 77.5 K: Comparison between Experimental and Theoretical Results

    NASA Technical Reports Server (NTRS)

    Brodbeck, C.; Bouanich, J.-P.; van-Thanh, Nguyen; Fu, Y.; Borysow, A.

    1999-01-01

    The collision-induced spectra of hydrogen in the region of the second overtone at 0.8 microns have been recorded at temperatures of 298 and 77.5 K and for gas densities ranging from 100 to 800 amagats. The spectral profile defined by the absorption coefficient per squared density varies significantly with the density, so that the binary absorption coefficient has been determined by extrapolations to zero density of the measured profiles. Our extrapolated measurements and our recent ab initio quantum calculation are in relatively good agreement with one another. Taking into account the very weak absorption of the second overtone band, the agreement is, however, not as good as it has become (our) standard for strong bands.

  14. Estimation of variability of specific absorption rate with physical description of children exposed to electromagnetic field in the VHF band.

    PubMed

    Nagaoka, T; Watanabe, S

    2009-01-01

    Recently, there has been an increasing concern regarding the effects of electromagnetic waves on the health of humans. The safety of radio frequency electromagnetic fields (RF-EMFs) is evaluated by the specific absorption rate (SAR). In recent years, SAR has been estimated by numerical simulation using fine-resolution and anatomically realistic reference whole-body voxel models of people of various ages. The variation in SAR with a change in the physical features of a real person is hardly studied, although every person has different physical features. In this study, in order to estimate the individual variability in SAR of persons, we obtained considerable 3D body shape data from actual three-year-old children and developed several homogeneous models of these children. The variability in SAR of the homogeneous models of three-year-old children for whole-body exposure to RF electromagnetic fields in the very high frequency (VHF) band calculated using the finite-difference time-domain method has been described. PMID:19964253

  15. Microwave-assisted synthesis of graphene-Ni composites with enhanced microwave absorption properties in Ku-band

    NASA Astrophysics Data System (ADS)

    Zhu, Zetao; Sun, Xin; Li, Guoxian; Xue, Hairong; Guo, Hu; Fan, Xiaoli; Pan, Xuchen; He, Jianping

    2015-03-01

    Recently, graphene has been applied as a new microwave absorber because of its high dielectric loss and low density. Nevertheless, the high dielectric constant of pristine graphene has caused unbalanced electromagnetic parameters and results in a bad impedance matching characteristic. In this study, we report a facile microwave-assisted heating approach to produce reduced graphene oxide-nickel (RGO-Ni) composites. The phase and morphology of as-synthesized RGO-Ni composites are characterized by XRD, Raman, FESEM and TEM. The results show that Ni nanoparticles with a diameter around 20 nm are grown densely and uniformly on the RGO sheets. In addition, enhanced microwave absorption properties in Ku-band of RGO-Ni composites is mainly due to the synergistic effect of dielectric loss and magnetic loss and the dramatically electron polarizations caused by the formation of large conductive network. The minimum reflection loss of RGO-Ni-2 composite with the thickness of 2 mm can reaches -42 dB at 17.6 GHz. The RGO-Ni composite is an attractive candidate for the new type of high performance microwave absorbing material.

  16. High resolution absorption cross sections in the transmission window region of the Schumann-Runge bands and Herzberg continuum of O2

    NASA Technical Reports Server (NTRS)

    Yoshino, K.; Esmond, J. R.; Cheung, A. S.-C.; Freeman, D. E.; Parkinson, W. H.

    1992-01-01

    Results are presented on measurements, conducted in the wavelength region 180-195 nm, and at different pressures of oxygen (between 2.5-760 torr) in order to separate the pressure-dependent absorption from the main cross sections, of the absorption cross sections of the Schumann-Runge bands in the window region between the rotational lines of S-R bands of O2. The present cross sections supersede the earlier published cross sections (Yoshino et al., 1983). The combined cross sections are presented graphically; they are available at wavenumber intervals of about 0.1/cm from the National Space Science Data Center. The Herzberg continuum cross sections are derived after subtracting calculated contributions from the Schumann-Runge bands. These are significantly smaller than any previous measurements.

  17. Interpretation of the optical absorption spectrum of Co3O4 with normal spinel structure from first principles calculations

    NASA Astrophysics Data System (ADS)

    Lima, A. F.

    2014-01-01

    First principles calculations based on density functional theory have been employed to study the electronic, magnetic and optical properties of Co3O4 in a cubic normal spinel structure. Exchange and correlation effects between electrons were treated by a B3PW91 hybrid functional, which produced better results than others scheme, such as GGA+U or PBE0 hybrid functionals or mBJ semilocal potential. The work focuses on clarifying the nature of the optical absorption bands, which have motivated various theoretical and experimental works in the literature. The calculated optical absorption spectrum was compared with available experimental data. On the basis of this calculated electronic and magnetic structure, the optical absorption peaks (theoretical and experimental) could be satisfactorily explained in terms of d3d charge transfer transitions between both CO2+→CO2+ and CO3+→CO3+ ions. The calculations also predicted that the crystal field splittings at both octahedral and tetrahedral sites in the Co3O4 compound are of the same magnitude. First principles calculations were used to predict optical properties of Co3O4. Exchange-correlation electronic effects were treated by a B3PW91 hybrid functional. Calculated optical absorption spectrum was compared with experimental data. Optical absorption peaks could be satisfactorily explained.

  18. Band structure of strain-balanced GaAsBi/GaAsN superlattices on GaAs

    NASA Astrophysics Data System (ADS)

    Hwang, J.; Phillips, J. D.

    2011-05-01

    GaAs alloys with dilute content of Bi and N provide a large reduction in band-gap energy with increasing alloy composition. GaAsBi/GaAsN heterojunctions have a type-II band alignment, where superlattices based on these materials offer a wide range for designing effective band-gap energy by varying superlattice period and alloy composition. The miniband structure and effective band gap for strain-balanced GaAsBi/GaAsN superlattices with effective lattice match to GaAs are calculated for alloy compositions up to 5% Bi and N using the k·p method. The effective band gap for these superlattices is found to vary between 0.89 and 1.32 eV for period thickness ranging from 10 to 100 Å. The joint density of states and optical absorption of a 40/40 Å GaAs0.96Bi0.04/GaAs0.98N0.02 superlattice are reported demonstrating a ground-state transition at 1.005 eV and first excited transition at 1.074 eV. The joint density of states is similar in magnitude to GaAs, while the optical absorption is approximately one order of magnitude lower due to the spatially indirect optical transition in the type-II structure. The GaAsBi/GaAsN system may provide a new material system with lattice match to GaAs in a spectral range of high importance for optoelectronic devices including solar cells, photodetectors, and light emitters.

  19. Band Structure of Strain-Balanced GaAsBi/GaAsN Super-lattices on GaAs

    SciTech Connect

    Hwang, J.; Phillips, J. D.

    2011-05-31

    GaAs alloys with dilute content of Bi and N provide a large reduction in band-gap energy with increasing alloy composition. GaAsBi/GaAsN heterojunctions have a type-II band alignment, where superlattices based on these materials offer a wide range for designing effective band-gap energy by varying superlattice period and alloy composition. The miniband structure and effective band gap for strain-balanced GaAsBi/GaAsN superlattices with effective lattice match to GaAs are calculated for alloy compositions up to 5% Bi and N using the k·p method. The effective band gap for these superlattices is found to vary between 0.89 and 1.32 eV for period thickness ranging from 10 to 100 Å. The joint density of states and optical absorption of a 40/40 Å GaAs0.96Bi0.04/GaAs0.98N0.02 superlattice are reported demonstrating a ground-state transition at 1.005 eV and first excited transition at 1.074 eV. The joint density of states is similar in magnitude to GaAs, while the optical absorption is approximately one order of magnitude lower due to the spatially indirect optical transition in the type-II structure. The GaAsBi/GaAsN system may provide a new material system with lattice match to GaAs in a spectral range of high importance for optoelectronic devices including solar cells, photodetectors, and light emitters.

  20. Band structure engineering of ZnO1-xSex alloys

    NASA Astrophysics Data System (ADS)

    Mayer, Marie A.; Speaks, Derrick T.; Yu, Kin Man; Mao, Samuel S.; Haller, Eugene E.; Walukiewicz, Wladek

    2010-08-01

    ZnO1-xSex films have been prepared through pulsed laser deposition as a step toward stable films with a band gap appropriate for water splitting. The films show a clear red shift in absorption with increasing Se content and a shift in the flat band voltage toward spontaneity. Due to the films' electron affinities, there exists a natural tunnel junction between these n- ZnO1-xSex films when grown on the p-side of a Si diode. The overall performance, emphasized by flat band potential measurements, can be improved by growing films on Si p-n diodes.

  1. Omnidirectional light absorption of disordered nano-hole structure inspired from Papilio ulysses.

    PubMed

    Wang, Wanlin; Zhang, Wang; Fang, Xiaotian; Huang, Yiqiao; Liu, Qinglei; Bai, Mingwen; Zhang, Di

    2014-07-15

    Butterflies routinely produce nanostructured surfaces with useful properties. Here, we report a disordered nano-hole structure with ridges inspired by Papilio ulysses that produce omnidirectional light absorption compared with the common ordered structure. The result shows that the omnidirectional light absorption is affected by polarization, the incident angle, and the wavelength. Using the finite-difference time-domain (FDTD) method, the stable omnidirectional light absorption is achieved in the structure inspired from the Papilio ulysses over a wide incident angle range and with various wavelengths. This explains some of the mysteries of the structure of the Papilio ulysses butterfly. These conclusions can guide the design of omnidirectional absorption materials. PMID:25121688

  2. First principle study of band structure of SrMO3 perovskites

    NASA Astrophysics Data System (ADS)

    Daga, Avinash; Sharma, Smita

    2016-05-01

    First principle study of band structure calculations in the local density approximations (LDA) as well as in the generalized gradient approximations (GGA) have been used to determine the electronic structure of SrMO3 where M stands for Ti, Zr and Mo. Occurrence of band gap proves SrTiO3 and SrZrO3 to be insulating. A small band gap is observed in SrMoO3 perovskite signifies it to be metallic. Band structures are found to compare well with the available data in the literature showing the relevance of this approach. ABINIT computer code has been used to carry out all the calculations.

  3. Analysis of Mars surface hydration through the MEx/OMEGA observation of the 3 μm absorption band.

    NASA Astrophysics Data System (ADS)

    Jouglet, D.; Poulet, F.; Bibring, J. P.; Langevin, Y.; Gondet, B.; Milliken, R. E.; Mustard, J. F.

    The near infrared Mars surface global mapping done by OMEGA gives the first opportunity to study the global and detailed characteristics of the 3µm hydration absorption band on Mars surface. This feature is indistinctly due to bending and stretching vibrations of water bound in minerals or adsorbed at their surface, and of hydroxyl groups (for a review, see e.g. [1] or [2]). Its study may give new elements to determine the geologic and climatic past of Mars, and may put new constrain about the current water cycle of Mars. OMEGA data are processed in a pipeline that converts raw data to radiance, removes atmospheric effects and gets I/F. Specific data reduction scheme has been developed to assess temperature of OMEGA spectra at 5 µm and to remove their thermal part so as to get the albedo from 1.µm to 5.1µm ([2]). Two methods, the Integrated Band Depth and the water content based on comparison with laboratory measures of Yen et al. ([3]), have been used to assess the 3µm band depth. These two methods where applied to OMEGA spectra acquired at a nominal calibration level and not exhibiting water ice features. This corresponds to approximately 35 million spectra ([2]). The data processed show the presence of this absorption feature overall the Martian surface, which could be explained by the presence of adsorbed water up to 1% water mass percentage ([4]) and by rinds or coating resulting from weathering (see e.g. [5] or [6]). A possible increase of hydration with albedo is discussed so as to discriminate between the albedo-dependence of the method and hydration variations. Terrains enriched in phyllosilicates ([7]), sulfates ([8]) or hydroxides exhibit an increased hydration at 3 µm. This terrains show that the 3 µm band can bring additional information about composition, for example by observing a variation in the shape of the band. A decrease of hydration with elevation is observed on the processed data independently of the value of albedo. This correlation

  4. Band structures in silicene on monolayer gallium phosphide substrate

    NASA Astrophysics Data System (ADS)

    Ren, Miaojuan; Li, Mingming; Zhang, Changwen; Yuan, Min; Li, Ping; Li, Feng; Ji, Weixiao; Chen, Xinlian

    2016-07-01

    Opening a sizable band gap in the zero-gap silicene is a key issue for its application in nanoelectronics. We design new 2D silicene and GaP heterobilayer (Si/GaP HBL) composed of silicene and monolayer (ML) GaP. Based on first-principles calculations, we find that the interaction energies are in the range of -295.5 to -297.5 meV per unit cell, indicating a weak interaction between silicene and gallium phosphide (GaP) monolayer. The band gap changes ranging from 0.06 to 0.44 eV in hybrid HBLs. An unexpected indirect-direct band gap crossover is also observed in HBLs, dependent on the stacking pattern. These provide a possible way to design effective FETs out of silicene on GaP monolayer.

  5. Energy absorption in composite materials for crashworthy structures

    NASA Technical Reports Server (NTRS)

    Farley, Gary L.

    1987-01-01

    Crash energy-absorption processes in composite materials have been studied as part of a research program aimed at the development of energy absorbing subfloor beams for crashworthy military helicopters. Based on extensive tests on glass/epoxy, graphite/epoxy, and Kevlar/epoxy composites, it is shown that the energy-absorption characteristics and crushing modes of composite beams are similar to those exhibited by tubular specimens of similar material and architecture. The crushing mechanisms have been determined and related to the mechanical properties of the constituent materials and specimen architecture. A simple and accurate method for predicting the energy-absorption capability of composite beams has been developed.

  6. Radiative analysis of global mean temperature trends in the middle atmosphere: Effects of non-locality and secondary absorption bands

    NASA Astrophysics Data System (ADS)

    Fomichev, V. I.; Jonsson, A. I.; Ward, W. E.

    2016-02-01

    In this paper, we provide a refined and extended assignment of past and future temperature changes relative to previous analyses and describe and evaluate the relevance of vertical coupling and non-linear and secondary radiative mechanisms for the interpretation of climatic temperature variations in the middle atmosphere. Because of their nature, the latter mechanisms are not adequately accounted for in most regression analyses of temperature trends as a function of local constituent variations. These mechanisms are examined using (1) globally averaged profiles from transient simulations with the Canadian Middle Atmosphere Model (CMAM) forced by changes in greenhouse gases and ozone depleting substances and (2) a one-dimensional radiative-equilibrium model forced using the diagnosed global mean changes in radiatively active constituents as derived from the CMAM model runs. The conditions during the periods 1975 to 1995 and 2010 to 2040 (during which the rates of change in ozone and CO2 differ) provide a suitable contrast for the role of the non-linear and non-local mechanisms being evaluated in this paper to be clearly differentiated and evaluated. Vertical coupling of radiative transfer effects and the influence of secondary absorption bands are important enough to render the results of multiple linear regression analyses between the temperature response and constituent changes misleading. These effects are evaluated in detail using the 1D radiative-equilibrium model using profiles from the CMAM runs as inputs. In order to explain the differences in the CMAM temperature trends prior to and after 2000 these other radiative effects must be considered in addition to local changes in the radiatively active species. The middle atmosphere temperature cools in response to CO2 and water vapor increases, but past and future trends are modulated by ozone changes.

  7. Fabrication of multi-layered absorption structure for high quantum efficiency photon detectors

    SciTech Connect

    Fujii, Go; Fukuda, Daiji; Numata, Takayuki; Yoshizawa, Akio; Tsuchida, Hidemi; Fujino, Hidetoshi; Ishii, Hiroyuki; Itatani, Taro; Zama, Tatsuya; Inoue, Shuichiro

    2009-12-16

    We report on some efforts to improve a quantum efficiency of titanium-based optical superconducting transition edge sensors using the multi-layered absorption structure for maximizing photon absorption in the Ti layer. Using complex refractive index values of each film measured by a Spectroscopic Ellipsometry, we designed and optimized by a simulation code. An absorption measurement of fabricated structure was in good agreement with the design and was higher than 99% at optimized wavelength of 1550 nm.

  8. The band structure of WO3 and non-rigid-band behaviour in Na0.67WO3 derived from soft x-ray spectroscopy and density functional theory.

    PubMed

    Chen, B; Laverock, J; Piper, L F J; Preston, A R H; Cho, S W; DeMasi, A; Smith, K E; Scanlon, D O; Watson, G W; Egdell, R G; Glans, P-A; Guo, J-H

    2013-04-24

    The electronic structure of single-crystal WO3 and Na0.67WO3 (a sodium-tungsten bronze) has been measured using soft x-ray absorption and resonant soft x-ray emission oxygen K-edge spectroscopies. The spectral features show clear differences in energy and intensity between WO3 and Na0.67WO3. The x-ray emission spectrum of metallic Na0.67WO3 terminates in a distinct Fermi edge. The rigid-band model fails to explain the electronic structure of Na0.67WO3 in terms of a simple addition of electrons to the conduction band of WO3. Instead, Na bonding and Na 3s-O 2p hybridization need to be considered for the sodium-tungsten bronze, along with occupation of the bottom of the conduction band. Furthermore, the anisotropy in the band structure of monoclinic γ-WO3 revealed by the experimental spectra with orbital-resolved geometry is explained via density functional theory calculations. For γ-WO3 itself, good agreement is found between the experimental O K-edge spectra and the theoretical partial density of states of O 2p orbitals. Indirect and direct bandgaps of insulating WO3 are determined from extrapolating separations between spectral leading edges and accounting for the core-hole energy shift in the absorption process. The O 2p non-bonding states show upward band dispersion as a function of incident photon energy for both compounds, which is explained using the calculated band structure and experimental geometry. PMID:23553445

  9. Electronic transitions in GdN band structure

    SciTech Connect

    Vidyasagar, R. Kita, T.; Sakurai, T.; Ohta, H.

    2014-05-28

    Using the near-infrared (NIR) absorbance spectroscopy, electronic transitions and spin polarization of the GdN epitaxial film have been investigated; and the GdN epitaxial film was grown by a reactive rf sputtering technique. The GdN film exhibited three broad bands in the NIR frequency regimes; and those bands are attributable primarily to the minority and majority spin transitions at the X-point and an indirect transition along the Γ-X symmetric direction of GdN Brillouin zone. We experimentally observe a pronounced red-shift of the indirect band gap when cooling down below the Curie temperature which is ascribed to the orbital-dependent coulomb interactions of Gd-5dxy electrons, which tend to push-up the N-2p bands. On the other hand, we have evaluated the spin polarization of 0.17 (±0.005), which indicates that the GdN epitaxial film has almost 100% spin-polarized carriers. Furthermore, the experimental result of GdN electronic transitions are consistent with the previous reports and are thus well-reproduced. The Arrott plots evidenced that the Curie temperature of GdN film is 36 K and the large spin moment is explained by the nitrogen vacancies and the intra-atomic exchange interaction.

  10. Uncovering the mechanism for selective control of the visible and near-IR absorption bands in bacteriochlorophylls a, b and g

    PubMed Central

    Fujisawa, Jun-ichi; Nagata, Morio

    2014-01-01

    Bacteriochlorophylls (BChls) play an important role as light harvesters in photosynthetic bacteria. Interestingly, bacteriochlorophylls (BChls) a, b, and g selectively tune their visible (Qx) and near IR (Qy) absorption bands by the substituent changes. In this paper, we theoretically study the mechanism for the selective control of the absorption bands. Density functional theory (DFT) and time-dependent DFT (TD-DFT) and four-orbital model analyses reveal that the selective red-shift of the Qy band with the substituent change from BChl a to b occurs with the lower-energy shift of the (HOMO, LUMO) excited state directly induced by the molecular-orbital energy changes. In contrast, the Qx band hardly shifts by the cancellation between the higher- and lower-energy shifts of the (HOMO-1, LUMO) excited state directly induced by the molecular-orbital energy changes and configuration interaction, respectively. On the other hand, with the substituent changes from BChl a to g, the Qx band selectively blue-shifts by the larger higher-energy shift of the (HOMO-1, LUMO) excited state directly induced by the molecular-orbital energy shifts than the lower-energy shift due to the configuration interaction. In contrast, the Qy band hardly shifts by the cancellation between the higher- and lower-energy shifts of the (HOMO, LUMO) excited state directly induced by the molecular-orbital energy changes and configuration interaction, respectively. Our work provides the important knowledge for understanding how nature controls the light-absorption properties of the BChl dyes, which might be also useful for design of porphyrinoid chromophores. PMID:27493495

  11. Band structures extending to very high spin in Xe126

    NASA Astrophysics Data System (ADS)

    Rønn Hansen, C.; Sletten, G.; Hagemann, G. B.; Herskind, B.; Jensen, D. R.; Bringel, P.; Engelhardt, C.; Hübel, H.; Neußer-Neffgen, A.; Singh, A. K.; Carpenter, M. P.; Janssens, R. V. F.; Khoo, T. L.; Lauritsen, T.; Bednarczyk, P.; Byrski, T.; Curien, D.; Benzoni, G.; Bracco, A.; Camera, F.; Leoni, S.; Clark, R. M.; Fallon, P.; Korichi, A.; Roccaz, J.; Maj, A.; Wilson, J. N.; Lisle, J. C.; Steinhardt, T.; Thelen, O.; Ødegård, S. W.

    2007-09-01

    High-spin states in Xe126 have been populated in the Se82(Ca48,4n)Xe126 reaction in two experiments, one at the VIVITRON accelerator in Strasbourg using the Euroball detector array, and a subsequent one with ATLAS at Argonne using the Gammasphere Ge-detector array. Levels and assignments made previously for Xe126 up to I=20 have been confirmed and extended. Four regular bands extending to a spin of almost I=60, which are interpreted as two pairs of signature partners with opposite parity, are identified for the first time. The α = 0 partner of each pair is connected to the lower-lying levels, whereas the two α = 1 partners remain floating. A fractional Doppler shift analysis of transitions in the strongest populated (π,α)=(-,0) band provides a value of 5.20.50.4 b for the transition quadrupole moment, which can be related to a minimum in the potential-energy surface calculated by the ULTIMATE CRANKER cranked shell-model code at ɛ≈0.35 and γ≈5°. The four lowest bands calculated for this minimum compare well with the two signature pairs experimentally observed over a wide spin range. A sharp upbend at ℏω~1170 keV is interpreted as a crossing with a band involving the j15/2 neutron orbital, for which pairing correlations are expected to be totally quenched. The four long bands extend to within ˜5 spin units of a crossing with an yrast line defined by calculated hyperdeformed transitions and will serve as important stepping stones into the spin region beyond 60ħ for future experiments.

  12. Ti3C2 MXenes with Modified Surface for High-Performance Electromagnetic Absorption and Shielding in the X-Band.

    PubMed

    Han, Meikang; Yin, Xiaowei; Wu, Heng; Hou, Zexin; Song, Changqing; Li, Xinliang; Zhang, Litong; Cheng, Laifei

    2016-08-17

    Electromagnetic (EM) absorbing and shielding composites with tunable absorbing behaviors based on Ti3C2 MXenes are fabricated via HF etching and annealing treatment. Localized sandwich structure without sacrificing the original layered morphology is realized, which is responsible for the enhancement of EM absorbing capability in the X-band. The composite with 50 wt % annealed MXenes exhibits a minimum reflection loss of -48.4 dB at 11.6 GHz, because of the formation of TiO2 nanocrystals and amorphous carbon. Moreover, superior shielding effectiveness with high absorption effectiveness is achieved. The total and absorbing shielding effectiveness of Ti3C2 MXenes in a wax matrix with a thickness of only 1 mm reach values of 76.1 and 67.3 dB, while those of annealed Ti3C2 MXenes/wax composites are 32 and 24.2 dB, respectively. Considering the promising performance of Ti3C2 MXenes with the modified surface, this work is expected to open the door for the expanded applications of MXenes family in EM absorbing and shielding fields. PMID:27454148

  13. Correlation of Photocatalytic Activity with Band Structure of Low-dimensional Semiconductor Nanostructures

    NASA Astrophysics Data System (ADS)

    Meng, Fanke

    Photocatalytic hydrogen generation by water splitting is a promising technique to produce clean and renewable solar fuel. The development of effective semiconductor photocatalysts to obtain efficient photocatalytic activity is the key objective. However, two critical reasons prevent wide applications of semiconductor photocatalysts: low light usage efficiency and high rates of charge recombination. In this dissertation, several low-dimensional semiconductors were synthesized with hydrothermal, hydrolysis, and chemical impregnation methods. The band structures of the low-dimensional semiconductor materials were engineered to overcome the above mentioned two shortcomings. In addition, the correlation between the photocatalytic activity of the low-dimensional semiconductor materials and their band structures were studied. First, we studied the effect of oxygen vacancies on the photocatalytic activity of one-dimensional anatase TiO2 nanobelts. Given that the oxygen vacancy plays a significant role in band structure and photocatalytic performance of semiconductors, oxygen vacancies were introduced into the anatase TiO2 nanobelts during reduction in H2 at high temperature. The oxygen vacancies of the TiO2 nanobelts boosted visible-light-responsive photocatalytic activity but weakened ultraviolet-light-responsive photocatalytic activity. As oxygen vacancies are commonly introduced by dopants, these results give insight into why doping is not always beneficial to the overall photocatalytic performance despite increases in absorption. Second, we improved the photocatalytic performance of two-dimensional lanthanum titanate (La2Ti2 O7) nanosheets, which are widely studied as an efficient photocatalyst due to the unique layered crystal structure. Nitrogen was doped into the La2Ti2O7 nanosheets and then Pt nanoparticles were loaded onto the La2Ti2O7 nanosheets. Doping nitrogen narrowed the band gap of the La2Ti 2O7 nanosheets by introducing a continuum of states by the valence

  14. High-Pressure Crystal Structure, Lattice Vibrations, and Band Structure of BiSbO4.

    PubMed

    Errandonea, Daniel; Muñoz, Alfonso; Rodríguez-Hernández, Placida; Gomis, Oscar; Achary, S Nagabhusan; Popescu, Catalin; Patwe, Sadeque J; Tyagi, Avesh K

    2016-05-16

    The high-pressure crystal structure, lattice-vibrations, and electronic band structure of BiSbO4 were studied by ab initio simulations. We also performed Raman spectroscopy, infrared spectroscopy, and diffuse-reflectance measurements, as well as synchrotron powder X-ray diffraction. High-pressure X-ray diffraction measurements show that the crystal structure of BiSbO4 remains stable up to at least 70 GPa, unlike other known MTO4-type ternary oxides. These experiments also give information on the pressure dependence of the unit-cell parameters. Calculations properly describe the crystal structure of BiSbO4 and the changes induced by pressure on it. They also predict a possible high-pressure phase. A room-temperature pressure-volume equation of state is determined, and the effect of pressure on the coordination polyhedron of Bi and Sb is discussed. Raman- and infrared-active phonons were measured and calculated. In particular, calculations provide assignments for all the vibrational modes as well as their pressure dependence. In addition, the band structure and electronic density of states under pressure were also calculated. The calculations combined with the optical measurements allow us to conclude that BiSbO4 is an indirect-gap semiconductor, with an electronic band gap of 2.9(1) eV. Finally, the isothermal compressibility tensor for BiSbO4 is given at 1.8 GPa. The experimental (theoretical) data revealed that the direction of maximum compressibility is in the (0 1 0) plane at ∼33° (38°) to the c-axis and 47° (42°) to the a-axis. The reliability of the reported results is supported by the consistency between experiments and calculations. PMID:27128858

  15. Recent Results from Broad-Band Intensity Mapping Measurements of Cosmic Large Scale Structure

    NASA Astrophysics Data System (ADS)

    Zemcov, Michael B.; CIBER, Herschel-SPIRE

    2016-01-01

    Intensity mapping integrates the total emission in a given spectral band over the universe's history. Tomographic measurements of cosmic structure can be performed using specific line tracers observed in narrow bands, but a wealth of information is also available from broad-band observations performed by instruments capable of capturing high-fidelity, wide-angle images of extragalactic emission. Sensitive to the continuum emission from faint and diffuse sources, these broad-band measurements provide a view on cosmic structure traced by components not readily detected in point source surveys. After accounting for measurement effects and astrophysical foregrounds, the angular power spectra of such data can be compared to predictions from models to yield powerful insights into the history of cosmic structure formation. This talk will highlight some recent measurements of large scale structure performed using broad-band intensity mapping methods that have given new insights on faint, distant, and diffuse components in the extragalactic background light.

  16. Band structure of germanium carbides for direct bandgap silicon photonics

    NASA Astrophysics Data System (ADS)

    Stephenson, C. A.; O'Brien, W. A.; Penninger, M. W.; Schneider, W. F.; Gillett-Kunnath, M.; Zajicek, J.; Yu, K. M.; Kudrawiec, R.; Stillwell, R. A.; Wistey, M. A.

    2016-08-01

    Compact optical interconnects require efficient lasers and modulators compatible with silicon. Ab initio modeling of Ge1-xCx (x = 0.78%) using density functional theory with HSE06 hybrid functionals predicts a splitting of the conduction band at Γ and a strongly direct bandgap, consistent with band anticrossing. Photoreflectance of Ge0.998C0.002 shows a bandgap reduction supporting these results. Growth of Ge0.998C0.002 using tetrakis(germyl)methane as the C source shows no signs of C-C bonds, C clusters, or extended defects, suggesting highly substitutional incorporation of C. Optical gain and modulation are predicted to rival III-V materials due to a larger electron population in the direct valley, reduced intervalley scattering, suppressed Auger recombination, and increased overlap integral for a stronger fundamental optical transition.

  17. Band structures in 98Ru and 99Ru

    NASA Astrophysics Data System (ADS)

    Van Voorthuysen, E. H. Du Marchie; Devoigt, M. J. A.; Blasi, N.; Jansen, J. F. W.

    1981-03-01

    The level schemes of 98, 99Ru were studied with the reactions 98Mo(α, 3nγ) and 98Mo(α, 4nγ) at Eα = 35 to 55 MeV, using a large variety of in-beam γ-ray detection techniques and conversion-electron measurements. A search for the 3 - state was carried out with the reaction 98Ru(p, p'). The ground-state band of 98Ru was excited up to Jπ = (12) + and a negative-parity band up to (15) -. New levels in 98Ru were found at Ex = 2285 ( Jπ = 4 +), 2435 ( Jπ = (3 -, 4 +)), 2671, 3540, 4224, 4847, 4915 ( Jπ = (12) +), 4989 ( Jπ = (12 +)), 5521 ( Jπ = (13) -), 5889, 6591 ( Jπ = (15) -), and 7621 keV. New unambiguous spin and parity assignments were made for the levels at Ex = 2014 and 3852 keV, as Jπ = 3 + and 9 -, respectively. New levels in 99Ru were found at Ex = 1976, 2021 ( J π = ( {15}/{2}+) ), 2393, 2401 ( J π = ( {17}/{2}+) ), 2875 (π = (+)), 3037, 3201 ( J π = ( {23}/{2}) -), 3460 ( J = ( {17}/{2}) ), 3484 ( J π = ( {21}/{2}+) ), 3985, 4224 ( J π = ( {27}/{2}-) ), and 5359 keV. The 1070 keV, J π = {11}/{2}- level in 99Ru has a half-life of 2.8 ns. A strongly excited negative-parity band is built on this level. A positive-parity band based on the ground state was excited up to J π = ( {21}/{2}+) . The level schemes are well reproduced by the interacting boson model in the vibrational limit.

  18. Structure vs. excitonic transitions in self-assembled porphyrin nanotubes and their effect on light absorption and scattering

    NASA Astrophysics Data System (ADS)

    Arteaga, Oriol; Canillas, Adolf; El-Hachemi, Zoubir; Crusats, Joaquim; Ribó, Josep M.

    2015-12-01

    The optical properties of diprotonated meso-tetrakis(4-sulphonatophenyl)porphyrin (TPPS4) J-aggregates of elongated thin particles (nanotubes in solution and ribbons when deposited on solid interfaces) are studied by different polarimetric techniques. The selective light extinction in these structures, which depends on the alignment of the nanoparticle with respect to the polarization of light, is contributed by excitonic absorption bands and by resonance light scattering. The optical response as a function of the polarization of light is complex because, although the quasi-one-dimensional structure confines the local fields along the nanotube axis, there are two orthogonal excitonic bands, of H- and J-character, that can work in favor of or against the field confinement. Results suggest that resonance light scattering is the dominant effect in solid state preparations, i.e. in collective groups (bundles) of ribbons but in diluted solutions, i.e. with isolated nanotubes, the absorption at the excitonic transitions remains dominant and linear dichroism spectra can be a direct probe of the exciton orientations. Therefore, by analyzing scattering and absorption data we can determine the alignment of the excitonic bands within the nanoparticle, i.e. of the orientation of the basic 2D porphyrin architecture in the nanoparticle. This is a necessary first step for understanding the directions of energy transport, charge polarization and non-linear optical properties in these materials.The optical properties of diprotonated meso-tetrakis(4-sulphonatophenyl)porphyrin (TPPS4) J-aggregates of elongated thin particles (nanotubes in solution and ribbons when deposited on solid interfaces) are studied by different polarimetric techniques. The selective light extinction in these structures, which depends on the alignment of the nanoparticle with respect to the polarization of light, is contributed by excitonic absorption bands and by resonance light scattering. The optical

  19. Collective band structures in the 99Tc nucleus

    NASA Astrophysics Data System (ADS)

    Li, H. J.; Xiao, Z. G.; Zhu, S. J.; Patial, M.; Qi, C.; Cederwall, B.; Zhang, Z.; Wang, R. S.; Yi, H.; Yan, W. H.; Cheng, W. J.; Huang, Y.; Lyu, L. M.; Zhang, Y.; Wu, X. G.; He, C. Y.; Zheng, Y.; Li, G. S.; Li, C. B.; Li, H. W.; Liu, J. J.; Luo, P. W.; Hu, S. P.; Wang, J. L.; Wu, Y. H.

    2015-05-01

    Excited states in 99Tc with energies up to 6 MeV have been populated using the 96Zr(7Li,4 n )99Tc reaction with a laboratory beam energy of 35 MeV. Coincident γ rays from excited nuclei produced in the reactions were detected using an array of coaxial, planar, and clover-type high-purity germanium detectors. A total of 60 new γ -ray transitions and 21 new levels are identified and placed into a new level scheme. Two collective bands assigned to be built on the π g9 /2 [422 ]5 /2 + and π p1 /2 [301 ]1 /2 - Nilsson configurations have been extended with spins up to 35/2 and 33 /2 ℏ , respectively. Backbending and signature inversion have been observed in the yrast band. The large signature splitting of the positive-parity band in 99Tc may be caused by a triaxial deformation, which agrees well with the electromagnetic properties, theoretical calculations based on total Routhian surface, and triaxial particle-rotor model calculations.

  20. Atomic structure, electronic properties, and band offsets of SrRuO3/TiO2 heterojunctions

    NASA Astrophysics Data System (ADS)

    Ferdous, Naheed; Ertekin, Elif

    2015-03-01

    Photocatalytic water splitting by sunlight can in principle be an environmentally green approach to hydrogen fuel production, but at present photocatalytic conversion efficiencies remain too small. In titanium dioxide (TiO2) , the most commonly used photocatalyst, the biggest limitation arises from poor absorption of visible light. One way to increase the visible light absorption is to create a composite heterojunction by integrating TiO2 with a strongly light absorbing material. Inspired by experimental results demonstrating good light absorption in the correlated metal oxide Strontium Ruthenate (SrRuO3) , as well as enhanced photocatalytic activity of SrRuO3/TiO2 heterojunctions, we have carried out electronic structure calculations based on density functional theory to explain and improve on the observed properties of such heterojunctions. Our calculations present that this heterojunction exhibits type-II band alignment which is necessary to transport optically excited electrons from the SrRuO3 to the TiO2, with calculated work functions in good agreement with experimental measurements. Also, DFT calculations help to explain the origin of large light absorption in the correlated metal oxide, which arises from electronic excitations from O 2p levels into the Ru d-orbital quasiparticle states in the material. The use of correlated metal oxide/ TiO2 heterojunctions is a potentially interesting approach to improved photocatalytic activity.

  1. Ultra-broad band and dual-band highly efficient polarization conversion based on the three-layered chiral structure

    NASA Astrophysics Data System (ADS)

    Xu, Kai-kai; Xiao, Zhong-yin; Tang, Jing-yao; Liu, De-jun; Wang, Zi-hua

    2016-07-01

    In the paper, a novel three-layered chiral structure is proposed and investigated, which consists of a split-ring resonator sandwiched between two layers of sub-wavelength gratings. This designed structure can achieve simultaneously asymmetric transmission with an extremely broad bandwidth and high amplitude as well as multi-band 90° polarization rotator with very low dispersion. Numerical simulations adopted two kinds of softwares with different algorithms demonstrate that asymmetric parameter can reach a maximum of 0.99 and over than 0.8 from 4.6 to 16.8 GHz, which exhibit magnitude and bandwidth improvement over previous chiral metamaterials in microwave bands (S, C, X and Ku bands). Specifically, the reason of high amplitude is analyzed in detail based on the Fabry-perot like resonance. Subsequently, the highly efficient polarization conversion with very low dispersion between two orthogonal linearly polarized waves is also analyzed by the optical activity and ellipticity. Finally, the electric fields are also investigated and further demonstrate the correctness of the simulated and calculated results.

  2. Syntheses, crystal and band structures, and optical properties of a selenidoantimonate and an iron polyselenide

    SciTech Connect

    Liu, Guang-Ning; Zhu, Wen-Juan; Zhang, Ming-Jian; Xu, Bo; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng

    2014-10-15

    A new selenidoantimonate (CH{sub 3}NH{sub 4})[Mn(phen){sub 2}](SbSe{sub 4})·phen (1, phen=1,10-phenanthroline) and an iron polyselenide [Fe(phen){sub 2}](Se{sub 4}) (2) were obtained under hydro(solvo)thermal conditions. Compound 1 represents the first example of a selenidoantimonate anion as a ligand to a transition-metal π-conjugated ligand complex cation. Compound 2 containing a κ{sup 2}Se{sup 1},Se{sup 4} chelating tetraselenide ligand, represents the only example of a tetraselenide ligand to a Fe complex cation. Compounds 1 and 2 exhibit optical gaps of 1.71 and 1.20 eV, respectively and their thermal stabilities have been investigated by thermogravimetric analyses. The electronic band structure along with the density of states calculated by the DFT method indicate that the optical absorptions mainly originate from the charge transitions from the Se 4p and Mn 3d states to the phen p–π{sup ⁎} orbital for 1 and the Se 4p and Fe 3d states to the phen p–π{sup ⁎} orbital for 2. - Graphical abstract: Two metal–Se complexes, representing the only example of a selenidoantimonate ligand to a TM π-conjugated ligand complex, and a tetraselenide ligand to a Fe complex cation, were synthesized. - Highlights: • The first π-conjugated ligand complex containing selenidoantimonate was isolated. • The first example of a tetraselenide ligand to a Fe complex cation was reported. • We found that phen can adjust the optical band gaps of metal–Se complexes.

  3. Electron momentum density, band structure, and structural properties of SrS

    SciTech Connect

    Sharma, G.; Munjal, N.; Vyas, V.; Kumar, R.; Sharma, B. K.; Joshi, K. B.

    2013-10-15

    The electron momentum density, the electronic band structure, and the structural properties of SrS are presented in this paper. The isotropic Compton profile, anisotropies in the directional Compton profiles, the electronic band structure and density of states are calculated using the ab initio periodic linear combination of atomic orbitals method with the CRYSTAL06 code. Structural parameters of SrS-lattice constants and bulk moduli in the B1 and B2 phases-are computed together with the transition pressure. The computed parameters are well in agreement with earlier investigations. To compare the calculated isotropic Compton profile, measurement on polycrystalline SrS is performed using 5Ci-{sup 241}Am Compton spectrometer. Additionally, charge transfer is studied by means of the Compton profiles computed from the ionic model. The nature of bonding in the isovalent SrS and SrO compounds is compared on the basis of equal-valenceelectron-density profiles and the bonding in SrS is found to be more covalent than in SrO.

  4. Structural, electronic structure, and band alignment properties at epitaxial NiO/Al2O3 heterojunction evaluated from synchrotron based X-ray techniques

    NASA Astrophysics Data System (ADS)

    Singh, S. D.; Nand, Mangla; Das, Arijeet; Ajimsha, R. S.; Upadhyay, Anuj; Kamparath, Rajiv; Shukla, D. K.; Mukherjee, C.; Misra, P.; Rai, S. K.; Sinha, A. K.; Jha, S. N.; Phase, D. M.; Ganguli, Tapas

    2016-04-01

    The valence band offset value of 2.3 ± 0.2 eV at epitaxial NiO/Al2O3 heterojunction is determined from photoelectron spectroscopy experiments. Pulsed laser deposited thin film of NiO on Al2O3 substrate is epitaxially grown along [111] direction with two domain structures, which are in-plane rotated by 60° with respect to each other. Observation of Pendellosung oscillations around Bragg peak confirms high interfacial and crystalline quality of NiO layer deposited on Al2O3 substrate. Surface related feature in Ni 2p3/2 core level spectra along with oxygen K-edge soft X-ray absorption spectroscopy results indicates that the initial growth of NiO on Al2O3 substrate is in the form of islands, which merge to form NiO layer for the larger coverage. The value of conduction band offset is also evaluated from the measured values of band gaps of NiO and Al2O3 layers. A type-I band alignment at NiO and Al2O3 heterojunction is also obtained. The determined values of band offsets can be useful in heterojunction based light emitting devices.

  5. Strong interlayer coupling mediated giant two-photon absorption in MoS e2 /graphene oxide heterostructure: Quenching of exciton bands

    NASA Astrophysics Data System (ADS)

    Sharma, Rituraj; Aneesh, J.; Yadav, Rajesh Kumar; Sanda, Suresh; Barik, A. R.; Mishra, Ashish Kumar; Maji, Tuhin Kumar; Karmakar, Debjani; Adarsh, K. V.

    2016-04-01

    A complex few-layer MoS e2 /graphene oxide (GO) heterostructure with strong interlayer coupling was prepared by a facile hydrothermal method. In this strongly coupled heterostructure, we demonstrate a giant enhancement of two-photon absorption that is in stark contrast to the reverse saturable absorption of a weakly coupled MoS e2 /GO heterostructure and saturable absorption of isolated MoS e2 . Spectroscopic evidence of our study indicates that the optical signatures of isolated MoS e2 and GO domains are significantly modified in the heterostructure, displaying a direct coupling of both domains. Furthermore, our first-principles calculations indicate that strong interlayer coupling between the layers dramatically suppresses the MoS e2 excitonic bands. We envision that our findings provide a powerful tool to explore different optical functionalities as a function of interlayer coupling, which may be essential for the development of device technologies.

  6. Optical absorption and band gap reduction in (Fe1-xCrx)2O3 solid solutions: A first-principles study

    SciTech Connect

    Wang, Yong; Lopata, Kenneth A.; Chambers, Scott A.; Govind, Niranjan; Sushko, Petr V.

    2013-12-02

    We provide a detailed theoretical analysis of the character of optical transitions and band gap reduction in (Fe1-xCrx)2O3 solid solutions using extensive periodic model and embedded cluster calculations. Optical absorption bands for x = 0.0, 0.5, and 1.0 are assigned on the basis of timedependent density functional theory (TDDFT) calculations. A band-gap reduction of as much as 0.7 eV with respect to that of pure α-Fe2O3 is found. This result can be attributed to predominantly two effects: (i) the higher valence band edge for x ≈ 0.5, as compared to those in pure α-Fe2O3 and α-Cr2O3, and, (ii) the appearance of Cr  Fe d–d transitions in the solid solutions. Broadening of the valence band due to hybridization of the O 2p states with Fe and Cr 3d states also contributes to band gap reduction.

  7. One-dimensional electromagnetic band gap structures formed by discharge plasmas in a waveguide

    SciTech Connect

    Arkhipenko, V. I.; Simonchik, L. V. Usachonak, M. S.; Callegari, Th.; Sokoloff, J.

    2014-09-28

    We demonstrate the ability to develop one-dimensional electromagnetic band gap structure in X-band waveguide solely by using the positive columns of glow discharges in neon at the middle pressure. Plasma inhomogeneities are distributed uniformly along a typical X-band waveguide with cross section of 23×10 mm². It is shown that electron densities larger than 10¹⁴ cm ⁻³ are needed in order to create an effective one-dimensional electromagnetic band gap structure. Some applications for using the one-dimensional electromagnetic band gap structure in waveguide as a control of microwave (broadband filter and device for variation of pulse duration) are demonstrated.

  8. Reconstruction of crystal band structure from the power spectrum of strong-field generated high harmonics

    NASA Astrophysics Data System (ADS)

    Wang, Chang-Ming; Ho, Tak-San; Chu, Shih-I.

    2016-05-01

    The study of high harmonic generation in solid driven by intense laser fields is a subject of much current interest. Recently we introduce a new optimization method to directly reconstruct the band structure of the crystal from the power spectrum of strong-field generated high harmonics. Without loss of generality, the reconstruction is formulated for a one-dimensional single band model as a minimization problem and solved by a derivative-free unconstrained optimization algorithm-NEWUOA. The method can be readily generalized to treat multi-band problems. Numerical simulations are presented to demonstrate the applicability of the method, and the reconstructed band structure is found to be in excellent agreement with the exact one. It is also shown that our optimization method remains robust and efficient even starting from the poorly guessed band structure.

  9. Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

    SciTech Connect

    Kozyukhin, S.; Golovchak, R.; Kovalskiy, A.; Shpotyuk, O.; Jain, H.

    2011-04-15

    High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As{sub x}Se{sub 100-x}, As{sub x}S{sub 100-x}, Ge{sub x}Se{sub 100-x} and Ge{sub x}S{sub 100-x} chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

  10. On the crystalline structure, stoichiometry and band gap of InN thin films

    SciTech Connect

    Yu, K.M.; Liliental-Weber, Z.; Walukiewicz, W.; Li, S.X.; Jones, R.E.; Shan, W.; Ager III, J.W.; Haller, E.E.; Lu, Hai; Schaff, William J.

    2004-09-23

    Detailed transmission electron microscopy (TEM), x-ray diffraction (XRD), and optical characterization of a variety of InN thin films grown by molecular beam epitaxy under both optimized and non-optimized conditions is reported. Optical characterization by absorption and photoluminescence confirms that the band gap of single crystalline and polycrystalline wurtzite InN is 0.70 {+-} 0.05 eV. Films grown under optimized conditions with a AlN nucleation layer and a GaN buffer layer are stoichiometric, single crystalline wurtzite structure with dislocation densities not exceeding mid-10{sup 10} cm{sup -2}. Non-optimal films can be poly-crystalline and display an XRD diffraction feature at 2{theta} {approx} 33{sup o}; this feature has been attributed by others to the presence of metallic In clusters. Careful indexing of wide angle XRD scans and selected area diffraction patterns shows that this peak is in fact due to the presence of polycrystalline InN grains; no evidence of metallic In clusters was found in any of the studied samples.

  11. Syntheses, crystal and band structures, and optical properties of a selenidoantimonate and an iron polyselenide

    NASA Astrophysics Data System (ADS)

    Liu, Guang-Ning; Zhu, Wen-Juan; Zhang, Ming-Jian; Xu, Bo; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng

    2014-10-01

    A new selenidoantimonate (CH3NH4)[Mn(phen)2](SbSe4)·phen (1, phen=1,10-phenanthroline) and an iron polyselenide [Fe(phen)2](Se4) (2) were obtained under hydro(solvo)thermal conditions. Compound 1 represents the first example of a selenidoantimonate anion as a ligand to a transition-metal π-conjugated ligand complex cation. Compound 2 containing a κ2Se1,Se4 chelating tetraselenide ligand, represents the only example of a tetraselenide ligand to a Fe complex cation. Compounds 1 and 2 exhibit optical gaps of 1.71 and 1.20 eV, respectively and their thermal stabilities have been investigated by thermogravimetric analyses. The electronic band structure along with the density of states calculated by the DFT method indicate that the optical absorptions mainly originate from the charge transitions from the Se 4p and Mn 3d states to the phen p-π* orbital for 1 and the Se 4p and Fe 3d states to the phen p-π* orbital for 2.

  12. A laboratory Atlas of the 5 nu-1 NH3 absorption band at 6475 A with applications to Jupiter and Saturn

    NASA Technical Reports Server (NTRS)

    Giver, L. P.; Miller, J. H.; Boese, R. W.

    1975-01-01

    A complete atlas of the 5 nu-1 absorption band of NH3 is presented together with measurements of the total band intensity, line intensities, and self-broadening coefficients. The spectrum, which is displayed in the interval from 6418 to 6550 A, was obtained photoelectrically at a pressure of 0.061 atm, and many more lines were seen in this spectrum than in a previous one obtained at a pressure of 0.39 atm. The band intensity is used to derive the NH3 abundance in the atmospheres of Jupiter and Saturn, and the abundances in a single vertical path are found to be about 10 m amagat for Jupiter and 2 m amagat for Saturn. These results are shown to be in agreement with previous results obtained from higher resolution photographic spectra.

  13. Nonlinear excitations in the honeycomb lattice: Beyond the high-symmetry points of the band structure

    NASA Astrophysics Data System (ADS)

    Arévalo, Edward; Morales-Molina, Luis

    2016-05-01

    The interplay between nonlinearity and the band structure of pristine honeycomb lattices is systematically explored. For that purpose, a theory of collective excitations valid for the first Brillouin zone of the lattice is developed. Closed-form expressions of two-dimensional excitations are derived for Bloch wave numbers beyond the high-symmetry points of the band structure. A description of the regions of validity of different nonlinear excitations in the first-Brillouin zone is given. We find that the unbounded nature of these excitations in nonlinear honeycomb latices is a signature of the strong influence of the Dirac cones in other parts of the band structure.

  14. Sub-gap and band edge optical absorption in a-Si:H by photothermal deflection spectroscopy

    NASA Astrophysics Data System (ADS)

    Jackson, W. B.; Amer, N. M.

    1981-07-01

    Using photothermal deflection spectroscopy, the optical absorption of various a-Si:H films was investigated in the range of 2.1 to 0.6 eV. An absorption shoulder which depends on deposition conditions and on doping was found and was attributed to dangling bonds. The exponential edge broadens with increasing spin density.

  15. Band Structure and Effective Mass in Monolayer MoS2.

    PubMed

    Wu, Ming-Ting; Fan, Jun-Wei; Chen, Kuan-Ting; Chang, Shu-Tong; Lin, Chung-Yi

    2015-11-01

    Monolayer transition-metal dichalcogenide is a very promising two-dimensional material for future transistor technology. Monolayer molybdenum disulfide (MoS2), owing to the unique electronic properties of its atomically thin two-dimensional layered structure, can be made into a high-performance metal-oxide-semiconductor field-effect transistor, or MOSFET. In this work, we focus on band structure and carrier mobility calculations for MoS2. We use the tight-binding method to calculate the band structure, including a consideration of the linear combination of different atomic orbitals, the interaction of neighboring atoms, and spin-orbit coupling for different tight-binding matrices. With information about the band structure, we can obtain the density of states, the effective mass, and other physical quantities. Carrier mobility using the Kubo-Greenwood formula is calculated based on the tight-binding band structure. PMID:26726660

  16. Complexities in pyroxene compositions derived from absorption band centers: Examples from Apollo samples, HED meteorites, synthetic pure pyroxenes, and remote sensing data

    NASA Astrophysics Data System (ADS)

    Moriarty, D. P.; Pieters, C. M.

    2016-02-01

    We reexamine the relationship between pyroxene composition and near-infrared absorption bands, integrating measurements of diverse natural and synthetic samples. We test an algorithm (PLC) involving a two-part linear continuum removal and parabolic fits to the 1 and 2 μm bands—a computationally simple approach which can easily be automated and applied to remote sensing data. Employing a suite of synthetic pure pyroxenes, the PLC technique is shown to derive similar band centers to the modified Gaussian model. PLC analyses are extended to natural pyroxene-bearing materials, including (1) bulk lunar basalts and pyroxene separates, (2) diverse lunar soils, and (3) HED meteorites. For natural pyroxenes, the relationship between composition and absorption band center differs from that of synthetic pyroxenes. These differences arise from complexities inherent in natural materials such as exsolution, zoning, mixing, and space weathering. For these reasons, band center measurements of natural pyroxene-bearing materials are compositionally nonunique and could represent three distinct scenarios (1) pyroxene with a narrow compositional range, (2) complexly zoned pyroxene grains, or (3) a mixture of multiple pyroxene (or nonpyroxene) components. Therefore, a universal quantitative relationship between band centers and pyroxene composition cannot be uniquely derived for natural pyroxene-bearing materials without additional geologic context. Nevertheless, useful relative relationships between composition and band center persist in most cases. These relationships are used to interpret M3 data from the Humboldtianum Basin. Four distinct compositional units are identified (1) Mare Humboldtianum basalts, (2) distinct outer basalts, (3) low-Ca pyroxene-bearing materials, and (4) feldspathic materials.

  17. Clay composition and swelling potential estimation of soils using depth of absorption bands in the SWIR (1100-2500 nm) spectral domain

    NASA Astrophysics Data System (ADS)

    Dufréchou, Grégory; Granjean, Gilles; Bourguignon, Anne

    2014-05-01

    Swelling soils contain clay minerals that change volume with water content and cause extensive and expensive damage on infrastructures. Presence of clay minerals is traditionally a good estimator of soils swelling and shrinking behavior. Montmorillonite (i.e. smectite group), illite, kaolinite are the most common minerals in soils and are usually associated to high, moderate, and low swelling potential when they are present in significant amount. Characterization of swelling potential and identification of clay minerals of soils using conventional analysis are slow, expensive, and does not permit integrated measurements. SWIR (1100-2500 nm) spectral domain are characterized by significant spectral absorption bands related to clay content that can be used to recognize main clay minerals. Hyperspectral laboratory using an ASD Fieldspec Pro spectrometer provides thus a rapid and less expensive field surface sensing that permits to measure soil spectral properties. This study presents a new laboratory reflectance spectroscopy method that used depth of clay diagnostic absorption bands (1400 nm, 1900 nm, and 2200 nm) to compare natural soils to synthetic montmorillonite-illite-kaolinite mixtures. We observe in mixtures that illite, montmorillonite, and kaolinite content respectively strongly influence the depth of absorption bands at 1400 nm (D1400), 1900 nm (D1900), and 2200 nm (D2200). To attenuate or removed effects of abundance and grain size, depth of absorption bands ratios were thus used to performed (i) 3D (using D1900/D2200, D1400/D1900, and D2200/D1400 as axis), and (ii) 2D (using D1400/D1900 and D1900/D2200 as axis) diagrams of synthetic mixtures. In this case we supposed that the overall reduction or growth of depth absorption bands should be similarly affected by the abundance and grain size of materials in soil. In 3D and 2D diagrams, the mixtures define a triangular shape formed by two clay minerals as external envelop and the three clay minerals mixtures

  18. Features of the band structure for semiconducting iron, ruthenium, and osmium monosilicides

    SciTech Connect

    Shaposhnikov, V. L. Migas, D. B.; Borisenko, V. E.; Dorozhkin, N. N.

    2009-02-15

    The pseudopotential method has been used to optimize the crystal lattice and calculate the energy band spectra for iron, ruthenium and, osmium monosilicides. It is found that all these compounds are indirect-gap semiconductors with band gaps of 0.17, 0.22, and 0.50 eV (FeSi, RuSi, and OsSi, respectively). A distinctive feature of their band structure is the 'loop of extrema' both in the valence and conduction bands near the center of the cubic Brillouin zone.

  19. Electronic band structure effects in monolayer, bilayer, and hybrid graphene structures

    NASA Astrophysics Data System (ADS)

    Puls, Conor

    Since its discovery in 2005, graphene has been the focus of intense theoretical and experimental study owing to its unique two-dimensional band structure and related electronic properties. In this thesis, we explore the electronic properties of graphene structures from several perspectives including the magnetoelectrical transport properties of monolayer graphene, gap engineering and measurements in bilayer graphene, and anomalous quantum oscillation in the monolayer-bilayer graphene hybrids. We also explored the device implications of our findings, and the application of some experimental techniques developed for the graphene work to the study of a complex oxide, Ca3Ru2O7, exhibiting properties of strongly correlated electrons. Graphene's high mobility and ballistic transport over device length scales, make it suitable for numerous applications. However, two big challenges remain in the way: maintaining high mobility in fabricated devices, and engineering a band gap to make graphene compatible with logical electronics and various optical devices. We address the first challenge by experimentally evaluating mobilities in scalable monolayer graphene-based field effect transistors (FETs) and dielectric-covered Hall bars. We find that the mobility is limited in these devices, and is roughly inversely proportional to doping. By considering interaction of graphene's Dirac fermions with local charged impurities at the interface between graphene and the top-gate dielectric, we find that Coulomb scattering is responsible for degraded mobility. Even in the cleanest devices, a band gap is still desirable for electronic applications of graphene. We address this challenge by probing the band structure of bilayer graphene, in which a field-tunable energy band gap has been theoretically proposed. We use planar tunneling spectroscopy of exfoliated bilayer graphene flakes demonstrate both measurement and control of the energy band gap. We find that both the Fermi level and

  20. 8-band k·p modelling of mid-infrared intersubband absorption in Ge quantum wells

    NASA Astrophysics Data System (ADS)

    Paul, D. J.

    2016-07-01

    The 8-band k.p parameters which include the direct band coupling between the conduction and the valence bands are derived and used to model optical intersubband transitions in Ge quantum well heterostructure material grown on Si substrates. Whilst for Si rich quantum wells the coupling between the conduction bands and valence bands is not important for accurate modelling, the present work demonstrates that the inclusion of such coupling is essential to accurately determine intersubband transitions between hole states in Ge and Ge-rich Si1-xGex quantum wells. This is due to the direct bandgap being far smaller in energy in Ge compared to Si. Compositional bowing parameters for a range of the key modelling input parameters required for Ge/SiGe heterostructures, including the Kane matrix elements, the effective mass of the Γ 2 ' conduction band, and the Dresselhaus parameters for both 6- and 8-band k.p modelling, have been determined. These have been used to understand valence band intersubband transitions in a range of Ge quantum well intersubband photodetector devices in the mid-infrared wavelength range.

  1. Titanium local structure in tektite probed by X-ray absorption fine structure spectroscopy.

    PubMed

    Wang, Ling; Yoshiasa, Akira; Okube, Maki; Takeda, Takashi

    2011-11-01

    The local structure of titanium in tektites from six strewn fields was studied by Ti K-edge X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) in order to provide quantitative data on Ti-O distance and Ti coordination number. The titanium in tektites possessed different coordination environment types. XANES spectra patterns revealed resemblance to high-temperature TiO(2)-SiO(2) glass and TiO(2) anatase. All samples showed that the valence of Ti is 4+. Based on the Ti-O distances, coordination numbers and radial distribution function determined by EXAFS analyses, the tektites were classified into three types: type I, Ti occupies a four-coordinated tetrahedral site with Ti-O distances of 1.84-1.79 Å; type II, Ti occupies a five-coordinated trigonal bipyramidal or tetragonal pyramidal site with Ti-O distances of 1.92-1.89 Å; type III, Ti occupies a six-coordinated octahedral site with Ti-O distances of 2.00-1.96 Å. Although Ti occupies the TiO(6) octahedral site in most titanium minerals under ambient conditions, some tektites have four- and five-coordinated Ti. This study indicated that the local structure of Ti might change in impact events and the following stages. PMID:21997913

  2. The electronic band structure of GaBiAs/GaAs layers: Influence of strain and band anti-crossing

    NASA Astrophysics Data System (ADS)

    Batool, Z.; Hild, K.; Hosea, T. J. C.; Lu, X.; Tiedje, T.; Sweeney, S. J.

    2012-06-01

    The GaBixAs1-x bismide III-V semiconductor system remains a relatively underexplored alloy particularly with regards to its detailed electronic band structure. Of particular importance to understanding the physics of this system is how the bandgap energy Eg and spin-orbit splitting energy Δo vary relative to one another as a function of Bi content, since in this alloy it becomes possible for Δo to exceed Eg for higher Bi fractions, which occurrence would have important implications for minimising non-radiative Auger recombination losses in such structures. However, this situation had not so far been realised in this system. Here, we study a set of epitaxial layers of GaBixAs1-x (2.3% ≤ x ≤ 10.4%), of thickness 30-40 nm, grown compressively strained onto GaAs (100) substrates. Using room temperature photomodulated reflectance, we observe a reduction in Eg, together with an increase in Δo, with increasing Bi content. In these strained samples, it is found that the transition energy between the conduction and heavy-hole valence band edges is equal with that between the heavy-hole and spin-orbit split-off valence band edges at ˜9.0 ± 0.2% Bi. Furthermore, we observe that the strained valence band heavy-hole/light-hole splitting increases with Bi fraction at a rate of ˜15 (±1) meV/Bi%, from which we are able to deduce the shear deformation potential. By application of an iterative strain theory, we decouple the strain effects from our experimental measurements and deduce Eg and Δo of free standing GaBiAs; we find that Δo indeed does come into resonance with Eg at ˜10.5 ± 0.2% Bi. We also conclude that the conduction/valence band alignment of dilute-Bi GaBiAs on GaAs is most likely to be type-I.

  3. S-band accelerating structures for the PAL-XFEL

    NASA Astrophysics Data System (ADS)

    Lee, Heung-Soo; Park, Young Jung; Joo, Young-Do; Heo, Hoon; Heo, Jinyul; Kim, Sang-Hee; Park, Soung-Soo; Hwang, Woon Ha; Kang, Heung-Sik; Kim, Kwang-woo; Ko, In-Soo; Oh, Kyoung-Min; Noh, Sung-Joo; Bak, Yong Hwan; Matsumoto, Hiroshi

    2015-02-01

    One hundred seventy-two accelerating structures are required for the Pohang Accelerator Laboratory X-ray free-electron laser's (PAL-XFEL's) 10-GeV main linear accelerator. So far, we have purchased 80 structures from Mitsubishi Heavy Industry (MHI), which have quasi-symmetric couplers in the accelerating structure to reduce the quadruple and the sextuple components of the electric field in the coupling cavity. High-power tests have been conducted for the first structure of the MHI structure, and Research Instruments (RI) has developed a 3-m long accelerating structure that has an operating frequency of 2856 MHz and in/out couplers of quasi-symmetric racetrack shape for the PAL-XFEL linear accelerator. This structure also has been tested by PAL and RI in the Pohang accelerator laboratory (PAL) to check the maximum available electric field gradient. We will describe the test results of these structures and the current status for the fabrication of the other accelerating structures in this paper.

  4. Band structure engineering through orbital interaction for enhanced thermoelectric power factor

    SciTech Connect

    Zhu, Hong; Sun, Wenhao; Ceder, Gerbrand; Armiento, Rickard; Lazic, Predrag

    2014-02-24

    Band structure engineering for specific electronic or optical properties is essential for the further development of many important technologies including thermoelectrics, optoelectronics, and microelectronics. In this work, we report orbital interaction as a powerful tool to finetune the band structure and the transport properties of charge carriers in bulk crystalline semiconductors. The proposed mechanism of orbital interaction on band structure is demonstrated for IV-VI thermoelectric semiconductors. For IV-VI materials, we find that the convergence of multiple carrier pockets not only displays a strong correlation with the s-p and spin-orbit coupling but also coincides with the enhancement of power factor. Our results suggest a useful path to engineer the band structure and an enticing solid-solution design principle to enhance thermoelectric performance.

  5. Band structure and thermopower of doped YCuO2

    SciTech Connect

    Singh, David J

    2008-01-01

    First-principles calculations and Boltzmann transport theory are used to analyze the thermopower and related properties of p-type delafossite structure YCuO{sub 2}. We find that the electrical transport properties are only mildly anisotropic in spite of the layered crystal structure and that this compound has high thermopowers indicative of a material that may be a good thermoelectric.

  6. Theoretical Analysis on the Band Structure Variance of the Electron Doped 1111 Iron-based Superconductors

    NASA Astrophysics Data System (ADS)

    Suzuki, K.; Usui, H.; Iimura, S.; Sato, Y.; Matsuishi, S.; Hosono, H.; Kuroki, K.

    We perform first principles band calculation of electron doped iron-based superconductors adopting the virtual crystal approximation. We find that when electrons are doped by element substitution in the blocking layer, the band structure near the Fermi level is affected due to the increase of the positive charge in the layer. On the other hand, when Fe in the conducting layer is substituted by Co, the band structure is barely affected. This difference should be a key factor in understanding the phase diagram of the heavily doped electron doped systems LnFeAsO1-xHx.

  7. Band structure of hydrogenated silicene on Ag(111): Evidence for half-silicane

    NASA Astrophysics Data System (ADS)

    Wang, W.; Olovsson, W.; Uhrberg, R. I. G.

    2016-02-01

    In the case of graphene, hydrogenation removes the conductivity due to the bands forming the Dirac cone by opening up a band gap. This type of chemical functionalization is of the utmost importance for electronic applications. As predicted by theoretical studies, a similar change in the band structure is expected for silicene, the closest analog to graphene. We here report a study of the atomic and electronic structures of hydrogenated silicene with hydrogen on one side, the so-called half-silicane. The ("2 √{3 }×2 √{3 } ") phase of silicene on Ag(111) was used in this Rapid Communication since it can be formed homogeneously across the entire surface of the Ag substrate. Low-energy electron diffraction and scanning tunneling microscopy data clearly show that hydrogenation changes the structure of silicene on Ag(111) resulting in a (1 × 1) periodicity with respect to the silicene lattice. The hydrogenated silicene also exhibits a quasiregular (2 √{3 }×2 √{3 } )-like arrangement of vacancies. Angle-resolved photoelectron spectroscopy revealed two dispersive bands which can be unambiguously assigned to half-silicane. The common top of these bands is located at ˜0.9 eV below the Fermi level. We find that the experimental bands are closely reproduced by the theoretical band structure of free-standing silicene with H adsorbed on the upper hexagonal sublattice.

  8. Structural analysis, electronic and optical properties of the synthesized Sb2S3 nanowires with small band gap

    NASA Astrophysics Data System (ADS)

    Validžić, I. Lj; Mitrić, M.; Abazović, N. D.; Jokić, B. M.; Milošević, A. S.; Popović, Z. S.; Vukajlović, F. R.

    2014-03-01

    We report a simple colloidal synthesis of two types of Sb2S3 nanowires with small band gap and high aspect ratio. Field-emission scanning electron and transmission electron microscopies confirmed formation of high aspect ratio Sb2S3 nanowires, separated in the form of bundles and coalesced with each other in long bars. Diffuse reflectance and absorption spectroscopies revealed that the optical band-gap energies of the synthesized nanowires separated in the form of bundles are 1.56 and 1.59 eV, and coalesced with each other in long bars are 1.36 and 1.28 eV, respectively. The structure refinement showed that Sb2S3 powders belong to the orthorhombic structure with space group Pnma (no. 62). It was found that Sb2S3 nanowires separated in the form of bundles predominantly grow along the [0 1 0] direction being in the needle-like shape. The nanowires coalesced with each other in long bars rise in the form of long bars, are ribbon-like in shape and have expressed {1 0 1} facets which grow along the [0 1 0] direction. No peaks in photoluminescence spectra were observed in the spectral range from 250 to 600 nm. In order to shed more light on the experimental results concerning the band-gap energies and, in the literature generally poorly investigated electronic properties of the synthesized material, we performed theoretical calculations of the electronic structure and optical properties of the Sb2S3 samples synthesized here. This was done on the basis of density functional theory with the generalized gradient approximation, and also with an improved version of the exchange potential suggested recently by Tran and Blaha. The main characteristic is the significant improvement of the band gap value.

  9. Local structure of Titanium in natural glasses probed by X-ray absorption fine structure

    NASA Astrophysics Data System (ADS)

    Wang, L.; Yoshiasa, A.; Okube, M.; Nakatani, T.; Hayasaka, Y.; Isobe, H.

    2013-04-01

    Synchrotron radiation has been used to collect titanium K-edge absorption spectra of a suite of natural glasses (tektites, impact glasses, fault rocks and volcanic glasses). XANES and XAFS analysis provided the qualitative and quantitative information of Ti oxidation state, Ti-O distance and site geometry. Tektites possess four-, five-, six-coordinated Ti, whereas fault rock-pseudotachylite, volcanic glasses and impact glass only presented five- and six-coordinated Ti. This study indicated that different petrogenesis of natural glasses has different local structures of titanium.

  10. The Rovibrational Intensities of Five Absorption Bands of (12)C(16)O2 Between 5218 and 5349/cm

    NASA Technical Reports Server (NTRS)

    Giver, Lawrence P.; Brown, Linda R.; Chackerian, Charles, Jr.; Freedman, Richard S.; Gore, Warren J. (Technical Monitor)

    2002-01-01

    Absolute line intensities, band intensities, and Herman-Wallis parameters were measured for the (01(sup 1)2)(sub I) from (00(sup 0)0)(sub I) perpendicular band of (12)C(16)O2 centered at 5315/cm, along with the three nearby associated hot bands: (10(sup 0)2)(sub II) from (01(sup 1)0)(sub I) at 5248/cm, (02(sup 2))(sub I) from (01(sup 1)0)(sub I) at 5291/cm, and (10(sup 0)2)(sub I) from (01(sup 1)0)(sub I) at 5349/cm. The nearby parallel hot band (30(sup 0))(sub I) from (10(sup 0)0)(sub II) at 5218/cm was also included in this study.

  11. Functional topography of band 3: specific structural alteration linked to function aberrations in human erythrocytes

    SciTech Connect

    Kay, M.M.B.; Bosman, G.J.C.G.M.; Lawrence, C.

    1988-01-01

    Band 3 is the major anion transport polypeptide of erythrocytes. It appears to be the binding site of several glycolytic enzymes. Structurally, band 3 is the major protein spanning the erythrocyte membrane and connects the plasma membrane to band 2.1, which binds to the cytoskeleton. In the present study, the authors report an alteration of band 3 molecule that is associated with the following changes: erythrocyte shape change from discoid to thorny cells (acanthocytes), restriction of rotational diffusion of band 3 in the membrane, increase in anion transport, and decrease in the number of high-affinity ankyrin-binding sites. Changes in erythrocyte IgG binding, glyceraldehyde-3-phosphate dehydrogenase, fluorescence polarization (indicative of membrane fluidity), and other membrane proteins as determined by polyacrylamide gel electrophoresis were not detected. Cells containing the altered band 3 polypeptide were obtained from individuals with abnormal erythrocyte morphology. Two-dimensional peptide maps revealed differences in the M/sub r/ 17,000 anion transport segment of band 3 consistent with additions of tyrosines or tyrosine-containing peptides. The data suggest that (i) this alteration of band 3 does not result in accelerated aging as does cleavage and (ii) structural changes in the anion transport region result in alterations in anion transport.

  12. Fine structure of the red luminescence band in undoped GaN

    SciTech Connect

    Reshchikov, M. A.; Usikov, A.; Helava, H.; Makarov, Yu.

    2014-01-20

    Many point defects in GaN responsible for broad photoluminescence (PL) bands remain unidentified. Their presence in thick GaN layers grown by hydride vapor phase epitaxy (HVPE) detrimentally affects the material quality and may hinder the use of GaN in high-power electronic devices. One of the main PL bands in HVPE-grown GaN is the red luminescence (RL) band with a maximum at 1.8 eV. We observed the fine structure of this band with a zero-phonon line (ZPL) at 2.36 eV, which may help to identify the related defect. The shift of the ZPL with excitation intensity and the temperature-related transformation of the RL band fine structure indicate that the RL band is caused by transitions from a shallow donor (at low temperature) or from the conduction band (above 50 K) to an unknown deep acceptor having an energy level 1.130 eV above the valence band.

  13. Tuning two-dimensional band structure of Cu(111) surface-state electrons that interplay with artificial supramolecular architectures

    NASA Astrophysics Data System (ADS)

    Wang, Shiyong; Wang, Weihua; Tan, Liang Z.; Li, Xing Guang; Shi, Zilang; Kuang, Guowen; Liu, Pei Nian; Louie, Steven G.; Lin, Nian

    2013-12-01

    We report on the modulation of two-dimensional (2D) bands of Cu(111) surface-state electrons by three isostructural supramolecular honeycomb architectures with different periodicity or constituent molecules. Using Fourier-transformed scanning tunneling spectroscopy and model calculations, we resolved the 2D band structures and found that the intrinsic surface-state band is split into discrete bands. The band characteristics including band gap, band bottom, and bandwidth are controlled by the network unit cell size and the nature of the molecule-surface interaction. In particular, Dirac cones emerge where the second and third bands meet at the K points of the Brillouin zone of the supramolecular lattice.

  14. Electronic structure and optical properties of CdS{sub x}Se{sub 1−x} solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

    SciTech Connect

    Murphy, M. W.; Yiu, Y. M. Sham, T. K.; Ward, M. J.; Liu, L.; Hu, Y.; Zapien, J. A.; Liu, Yingkai

    2014-11-21

    The electronic structure and optical properties of a series of iso-electronic and iso-structural CdS{sub x}Se{sub 1−x} solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

  15. Energy loss of ions at metal surfaces: Band-structure effects

    SciTech Connect

    Alducin, M.; Silkin, V.M.; Juaristi, J.I.; Chulkov, E.V.

    2003-03-01

    We study band-structure effects on the energy loss of protons scattered off the Cu (111) surface. The distance dependent stopping power for a projectile traveling parallel to the surface is calculated within the linear response theory. The self-consistent electronic response of the system is evaluated within the random-phase approximation. In order to characterize the surface band structure, the electronic single-particle wave functions and energies are obtained by solving the Schroedinger equation with a realistic one-dimensional model potential. This potential reproduces the main features of the Cu (111) surface: the energy band gap for electron motion along the surface normal, as well as the binding energy of the occupied surface state and the first image state. Comparison of our results with those obtained within the jellium model allows us to characterize the band-structure effects in the energy loss of protons interacting with the Cu (111) surface.

  16. Metal incorporated M-DNA: structure, magnetism, optical absorption

    NASA Astrophysics Data System (ADS)

    Mizoguchi, Kenji

    2011-09-01

    DNA is an interesting material from the viewpoint of the materials science. This paper discusses the electronic states of the metal incorporated M-DNA complexes with several species of metal ions. M-DNA prepared by the ordinary methanol precipitation technique has been investigated with ESR, STM and optical absorption, and concluded that the metal ion hydrated with several water molecules locates in between the bases of a base pair and that the divalent metal ions are incorporated into DNA in place of two Na cations as the counter ion for PO-4in the DNA backbones. Only in Fe-DNA, it was confirmed that the Fe2+ in the FeCl2 aqueous solution reacts with DNA to form Fe-DNA complex with Fe3+, where the charge would transfer to DNA. Within 30 min, the hydrolysis of Fe2+ to form Fe3+O(OH) did not occur in the FeCl2 aqueous solution at room temperature. The optical absorption spectra of Fe-DNA is similar to that for FeCl3 with the ionic character, but definitely differs from that of Fe3+O(OH) with the covalent bonding nature, suggesting the ionic character of Fe3+ in Fe-DNA. Finally, the possible two kinds of electronic states for Zn-DNA with different bonding nature will be discussed in relation to the recent report on Zn-DNA.

  17. Synthesis, Structure, Band Gap, and Near-Infrared Photosensitivity of a New Chalcogenide Crystal, (NH4)4Ag12Sn7Se22.

    PubMed

    Du, Ke-Zhao; Qi, Xing-Hui; Feng, Mei-Ling; Li, Jian-Rong; Wang, Xing-Zhi; Du, Cheng-Feng; Zou, Guo-Dong; Wang, Meng; Huang, Xiao-Ying

    2016-06-01

    A new chalcogenide crystal, (NH4)4Ag12Sn7Se22 (FJSM-STS), has been solvothermally synthesized. The crystal structure, which is composed of arrays of [Sn3Se9]n(6n-) chains interconnecting [SnAg6Se10]n(10n-) and [Ag3Se4]n(5n-) layers, is unprecedented among the reported A/Ag/Sn/Q (A = cation; Q = S, Se, and Te) compounds. Optical absorption together with theoretical calculations of the band structure indicate a direct band gap of 1.21 eV for FJSM-STS, which is close to the ideal band gap to maximize the photoconversion efficiency proposed by Shockley and Queisser. The toxic-metal-free crystal of FJSM-STS exhibits obvious photosensitivity in the near-infrared range. The variates of power and temperature on the photosensitivity have been studied. PMID:27228165

  18. Polar semiconductor heterojunction structure energy band diagram considerations

    NASA Astrophysics Data System (ADS)

    Lin, Shuxun; Wen, Cheng P.; Wang, Maojun; Hao, Yilong

    2016-03-01

    The unique nature of built-in electric field induced positive/negative charge pairs of polar semiconductor heterojunction structure has led to a more realistic device model for hexagonal III-nitride HEMT. In this modeling approach, the distribution of charge carriers is dictated by the electrostatic potential profile instead of Femi statistics. The proposed device model is found suitable to explain peculiar properties of GaN HEMT structures, including: (1) Discrepancy in measured conventional linear transmission line model (LTLM) sheet resistance and contactless sheet resistance of GaN HEMT with thin barrier layer. (2) Below bandgap radiation from forward biased Nickel Schottky barrier diode on GaN HEMT structure. (3) GaN HEMT barrier layer doping has negligible effect on transistor channel sheet charge density.

  19. Electronic band structure and effective mass parameters of Ge1-xSnx alloys

    NASA Astrophysics Data System (ADS)

    Lu Low, Kain; Yang, Yue; Han, Genquan; Fan, Weijun; Yeo, Yee-Chia

    2012-11-01

    This work investigates the electronic band structures of bulk Ge1-xSnx alloys using the empirical pseudopotential method (EPM) for Sn composition x varying from 0 to 0.2. The adjustable form factors of EPM were tuned in order to reproduce the band features that agree well with the reported experimental data. Based on the adjusted pseudopotential form factors, the band structures of Ge1-xSnx alloys were calculated along high symmetry lines in the Brillouin zone. The effective masses at the band edges were extracted by using a parabolic line fit. The bowing parameters of hole and electron effective masses were then derived by fitting the effective mass at different Sn compositions by a quadratic polynomial. The hole and electron effective mass were examined for bulk Ge1-xSnx alloys along specific directions or orientations on various crystal planes. In addition, employing the effective-mass Hamiltonian for diamond semiconductor, band edge dispersion at the Γ-point calculated by 8-band k.p. method was fitted to that obtained from EPM approach. The Luttinger-like parameters were also derived for Ge1-xSnx alloys. They were obtained by adjusting the effective-mass parameters of k.p method to fit the k.p band structure to that of the EPM. These effective masses and derived Luttinger parameters are useful for the design of optical and electronic devices based on Ge1-xSnx alloys.

  20. Electron microscopy and x-ray diffraction evidence for two Z-band structural states.

    PubMed

    Perz-Edwards, Robert J; Reedy, Michael K

    2011-08-01

    In vertebrate muscles, Z-bands connect adjacent sarcomeres, incorporate several cell signaling proteins, and may act as strain sensors. Previous electron microscopy (EM) showed Z-bands reversibly switch between a relaxed, "small-square" structure, and an active, "basketweave" structure, but the mechanism of this transition is unknown. Here, we found the ratio of small-square to basketweave in relaxed rabbit psoas muscle varied with temperature, osmotic pressure, or ionic strength, independent of activation. By EM, the A-band and both Z-band lattice spacings varied with temperature and pressure, not ionic strength; however, the basketweave spacing was consistently 10% larger than small-square. We next sought evidence for the two Z-band structures in unfixed muscles using x-ray diffraction, which indicated two Z-reflections whose intensity ratios and spacings correspond closely to the EM measurements for small-square and basketweave if the EM spacings are adjusted for 20% shrinkage due to EM processing. We conclude that the two Z-reflections arise from the small-square and basketweave forms of the Z-band as seen by EM. Regarding the mechanism of transition during activation, the effects of Ca(2+) in the presence of force inhibitors suggested that the interconversion of Z-band forms was correlated with tropomyosin movement on actin. PMID:21806939

  1. Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

    SciTech Connect

    Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan

    2015-01-21

    The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO{sub 2}), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO{sub 2} has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.

  2. An open-structure sound insulator against low-frequency and wide-band acoustic waves

    NASA Astrophysics Data System (ADS)

    Chen, Zhe; Fan, Li; Zhang, Shu-yi; Zhang, Hui; Li, Xiao-juan; Ding, Jin

    2015-10-01

    To block sound, i.e., the vibration of air, most insulators are based on sealed structures and prevent the flow of the air. In this research, an acoustic metamaterial adopting side structures, loops, and labyrinths, arranged along a main tube, is presented. By combining the accurately designed side structures, an extremely wide forbidden band with a low cut-off frequency of 80 Hz is produced, which demonstrates a powerful low-frequency and wide-band sound insulation ability. Moreover, by virtue of the bypass arrangement, the metamaterial is based on an open structure, and thus air flow is allowed while acoustic waves can be insulated.

  3. Examination of the local structure in composite and lowdimensional semiconductor by X-ray Absorption Spectroscopy

    SciTech Connect

    Lawniczak-Jablonska, K.; Demchenko, I.N.; Piskorska, E.; Wolska,A.; Talik, E.; Zakharov, D.N.; Liliental-Weber, Z.

    2006-09-25

    X-ray absorption methods have been successfully used to obtain quantitative information about local atomic composition of two different materials. X-ray Absorption Near Edge Structure analysis and X-Ray Photoelectron Spectroscopy allowed us to determine seven chemical compounds and their concentrations in c-BN composite. Use of Extended X-ray Absorption Fine Structure in combination with Transmission Electron Microscopy enabled us to determine the composition and size of buried Ge quantum dots. It was found that the quantum dots consisted out of pure Ge core covered by 1-2 monolayers of a layer rich in Si.

  4. Fine-structure enhancement — assessment of a simple method to resolve overlapping bands in spectra

    NASA Astrophysics Data System (ADS)

    Barth, Andreas

    2000-05-01

    A simple mathematical procedure — fine-structure enhancement — has been assessed on its ability to resolve overlapping bands in spectra. Its advantages and limitations have been explored using synthetic and experimental spectra. Fine-structure enhancement involves smoothing the original spectrum, multiplying the smoothed spectrum with a weighting factor and subtracting this spectrum from the original spectrum. As a result, the fine-structure of the original spectrum is enhanced in the processed spectrum and bands that overlap in the original spectrum appear as distinct bands in the processed spectrum. To be resolved by fine-structure enhancement, Lorentzian lines have to be separated by more than their quarter width at half maximum, Gaussian lines by more than their half width at half maximum. A comparison of fine-structure enhancement and Fourier self-deconvolution shows that Fourier self-deconvolution has in theory a higher potential to resolve overlapping bands. However, this depends crucially on the correct choice of the parameters. In practice, when parameters commonly used are chosen for Fourier self-deconvolution, fine-structure enhancement leads to similar results. This is demonstrated at the example of the infrared absorbance spectrum of the protein papain, where the amide I band components could be resolved similarly with both methods. Thus, fine-structure enhancement seems to be a simple alternative to Fourier self-deconvolution that does not require specialised software.

  5. Solar energy conversion via internal photoemission in aluminum, copper, and silver: Band structure effects and theoretical efficiency estimates

    NASA Astrophysics Data System (ADS)

    Chang, Yin-Jung; Shih, Ko-Han

    2016-05-01

    Internal photoemission (IPE) across an n-type Schottky junction due to standard AM1.5G solar illumination is quantified with practical considerations for Cu, Ag, and Al under direct and fully nondirect transitions, all in the context of the constant matrix element approximation. Under direct transitions, photoemitted electrons from d bands dominate the photocurrent and exhibit a strong dependence on the barrier energy ΦB but are less sensitive to the change in the metal thickness. Photocurrent is shown to be nearly completely contributed by s-state electrons in the fully nondirect approximation that offers nearly identical results as in the direct transition for metals having a free-electron-like band structure. Compared with noble metals, Al-based IPE has the highest quantum yield up to about 5.4% at ΦB = 0.5 eV and a maximum power conversion efficiency of approximately 0.31% due mainly to its relatively uniform and wide Pexc energy spectral width. Metals (e.g., Ag) with a larger interband absorption edge are shown to outperform those with shallower d-bands (e.g., Cu and Au).

  6. 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.

  7. Water-vapor absorption line measurements in the 940-nm band by using a Raman-shifted dye laser

    NASA Technical Reports Server (NTRS)

    Chu, Zhiping; Wilkerson, Thomas D.; Singh, Upendra N.

    1993-01-01

    We report water-vapor absorption line measurements that are made by using the first Stokes radiation (930-982 nm) with HWHM 0.015/cm generated by a narrow-linewidth, tunable dye laser. Forty-five absorption line strengths are measured with an uncertainty of 6 percent and among them are fourteen strong lines that are compared with previous measurements for the assessment of spectral purity of the light source. Thirty air-broadened linewidths are measured with 8 percent uncertainty at ambient atmospheric pressure with an average of 0.101/cm. The lines are selected for the purpose of temperature-sensitive or temperature-insensitive lidar measurements. Results for these line strengths and linewidths are corrected for broadband radiation and finite laser linewidth broadening effects and compared with the high-resolution transmission molecular absorption.

  8. Superlattice band structure: New and simple energy quantification condition

    NASA Astrophysics Data System (ADS)

    Maiz, F.

    2014-10-01

    Assuming an approximated effective mass and using Bastard's boundary conditions, a simple method is used to calculate the subband structure for periodic semiconducting heterostructures. Our method consists to derive and solve the energy quantification condition (EQC), this is a simple real equation, composed of trigonometric and hyperbolic functions, and does not need any programming effort or sophistic machine to solve it. For less than ten wells heterostructures, we have derived and simplified the energy quantification conditions. The subband is build point by point; each point presents an energy level. Our simple energy quantification condition is used to calculate the subband structure of the GaAs/Ga0.5Al0.5As heterostructures, and build its subband point by point for 4 and 20 wells. Our finding shows a good agreement with previously published results.

  9. Theoretical and Experimental Study of the Crystal Structures, Lattice Vibrations, and Band Structures of Monazite-Type PbCrO4, PbSeO4, SrCrO4, and SrSeO4.

    PubMed

    Errandonea, Daniel; Muñoz, Alfonso; Rodríguez-Hernández, Placida; Proctor, John E; Sapiña, Fernando; Bettinelli, Marco

    2015-08-01

    The crystal structures, lattice vibrations, and electronic band structures of PbCrO4, PbSeO4, SrCrO4, and SrSeO4 were studied by ab initio calculations, Raman spectroscopy, X-ray diffraction, and optical-absorption measurements. Calculations properly describe the crystal structures of the four compounds, which are isomorphic to the monazite structure and were confirmed by X-ray diffraction. Information is also obtained on the Raman- and IR-active phonons, with all of the vibrational modes assigned. In addition, the band structures and electronic densities of states of the four compounds were determined. All are indirect-gap semiconductors. In particular, chromates are found to have band gaps smaller than 2.5 eV and selenates higher than 4.3 eV. In the chromates (selenates), the upper part of the valence band is dominated by O 2p states and the lower part of the conduction band is composed primarily of electronic states associated with the Cr 3d and O 2p (Se 4s and O 2p) states. Calculations also show that the band gap of PbCrO4 (PbSeO4) is smaller than the band gap of SrCrO4 (SrSeO4). This phenomenon is caused by Pb states, which, to some extent, also contribute to the top of the valence band and the bottom of the conduction band. The agreement between experiments and calculations is quite good; however, the band gaps are underestimated by calculations, with the exception of the bang gap of SrCrO4, for which theory and calculations agree. Calculations also provide predictions of the bulk modulus of the studied compounds. PMID:26161677

  10. Radio Structures of Compact Quasars with Broad Absorption Lines

    NASA Astrophysics Data System (ADS)

    Kunert-Bajraszewska, Magdalena; Gawroński, Marcin P.

    2010-05-01

    Broad absorption lines (BALs), seen in a small fraction of both the radio-quiet and radio-loud quasar populations, are probably caused by the outflow of gas with high velocities and are part of the accretion process. The presence of BALs is due to a geometrical effect and/or it is connected with the quasar evolution. Using the final release of FIRST survey combined with a catalog of BAL QSOs from SDSS/DR3, we have constructed a new sample of compact radio-loud BAL QSOs, which constitutes the majority of radio-loud BAL QSOs. The main goal of this project is to study the origin of BALs by analysis of the BAL QSOs radio morphology, orientation, and jet evolution using the European VLBI Network (EVN) at 1.6 GHz and the Very Long Baseline Array (VLBA) at 5 and 8.4 GHz.

  11. Investigation of SO3 absorption line for in situ gas detection inside combustion plants using a 4-μm-band laser source.

    PubMed

    Tokura, A; Tadanaga, O; Nishimiya, T; Muta, K; Kamiyama, N; Yonemura, M; Fujii, S; Tsumura, Y; Abe, M; Takenouchi, H; Kenmotsu, K; Sakai, Y

    2016-09-01

    We have investigated 4-μm-band SO3 absorption lines for in situSO3 detection using a mid-infrared laser source based on difference frequency generation in a quasi-phase-matched LiNbO3 waveguide. In the wavelength range of 4.09400-4.10600 μm, there were strong SO3 absorption lines. The maximum absorption coefficient at a concentration of 170 ppmv was estimated to be about 3.2×10-5  cm-1 at a gas temperature of 190°C. In coexistence with H2O, the reduction of the SO3 absorption peak height was observed, which was caused by sulfuric acid formation. We discuss a method of using an SO3 equilibrium curve to derive the total SO3 molecule concentration. PMID:27607263

  12. Band structure of solids from clusters SCF potentials

    SciTech Connect

    Nour, S.; Chermette, H.

    1995-01-05

    The possibilities and limits of the molecular orbital theory to deal with the problem of determining electronic structure of solids have been explored. A cluster model based on the charge neutrality in the solid has been used in test calculations on some III-V semiconductors and have given quite satisfactory results. Recommendations are given to widen the field of applications of this procedure. 33 refs., 5 figs., 2 tabs.

  13. Intraband absorption in the 8-12 μm band from Si-doped vertically aligned InGaAs/GaAs quantum-dot superlattice

    NASA Astrophysics Data System (ADS)

    Zhuang, Q. D.; Li, J. M.; Li, H. X.; Zeng, Y. P.; Pan, L.; Chen, Y. H.; Kong, M. Y.; Lin, L. Y.

    1998-12-01

    Normal-incident infrared absorption in the 8-12-μm-atmospheric spectral window in the InGaAs/GaAs quantum-dot superlattice is observed. Using cross-sectional transmission electron microscopy, we find that the InGaAs quantum dots are perfectly vertically aligned in the growth direction (100). Under the normal incident radiation, a distinct absorption peaked at 9.9 μm is observed. This work indicates the potential of this quantum-dot superlattice structure for use as normal-incident infrared imaging focal arrays application without fabricating grating structures.

  14. Relationships between magnetic foot points and G-band bright structures

    NASA Astrophysics Data System (ADS)

    Ishikawa, R.; Tsuneta, S.; Kitakoshi, Y.; Katsukawa, Y.; Bonet, J. A.; Vargas Domínguez, S.; Rouppe van der Voort, L. H. M.; Sakamoto, Y.; Ebisuzaki, T.

    2007-09-01

    Aims:Magnetic elements are thought to be described by flux tube models, and are well reproduced by MHD simulations. However, these simulations are only partially constrained by observations. We observationally investigate the relationship between G-band bright points and magnetic structures to clarify conditions, which make magnetic structures bright in G-band. Methods: The G-band filtergrams together with magnetograms and dopplergrams were taken for a plage region covered by abnormal granules as well as ubiquitous G-band bright points, using the Swedish 1-m Solar Telescope (SST) under very good seeing conditions. Results: High magnetic flux density regions are not necessarily associated with G-band bright points. We refer to the observed extended areas with high magnetic flux density as magnetic islands to separate them from magnetic elements. We discover that G-band bright points tend to be located near the boundary of such magnetic islands. The concentration of G-band bright points decreases with inward distance from the boundary of the magnetic islands. Moreover, G-band bright points are preferentially located where magnetic flux density is higher, given the same distance from the boundary. There are some bright points located far inside the magnetic islands. Such bright points have higher minimum magnetic flux density at the larger inward distance from the boundary. Convective velocity is apparently reduced for such high magnetic flux density regions regardless of whether they are populated by G-band bright points or not. The magnetic islands are surrounded by downflows. Conclusions: These results suggest that high magnetic flux density, as well as efficient heat transport from the sides or beneath, are required to make magnetic elements bright in G-band.

  15. Vibronic Structures in Absorption and Fluorescence Spectra of Firefly Oxyluciferin in Aqueous Solutions.

    PubMed

    Hiyama, Miyabi; Noguchi, Yoshifumi; Akiyama, Hidefumi; Yamada, Kenta; Koga, Nobuaki

    2015-01-01

    To elucidate the factors determining the spectral shapes and widths of the absorption and fluorescence spectra for keto and enol oxyluciferin and their conjugate bases in aqueous solutions, the intensities of vibronic transitions between their ground and first electronic excited states were calculated for the first time via estimation of the vibrational Franck-Condon factors. The major normal modes, overtones and combination tones in absorption and fluorescence spectra are similar for all species. The theoretical full widths at half maximum of absorption spectra are 0.4-0.7 eV and those for the fluorescence spectra are 0.4-0.5 eV, except for phenolate-keto that exhibits exceptionally sharp peak widths due to the dominance of the 0-0' or 0'-0 band. These spectral shapes and widths explain many relevant features of the experimentally observed spectra. PMID:25946599

  16. Band structures of 4f and 5f materials studied by angle-resolved photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Fujimori, Shin-ichi

    2016-04-01

    Recent remarkable progress in angle-resolved photoelectron spectroscopy (ARPES) has enabled the direct observation of the band structures of 4f and 5f materials. In particular, ARPES with various light sources such as lasers (hν ∼ 7~\\text{eV} ) or high-energy synchrotron radiations (hν ≳ 400~\\text{eV} ) has shed light on the bulk band structures of strongly correlated materials with energy scales of a few millielectronvolts to several electronvolts. The purpose of this paper is to summarize the behaviors of 4f and 5f band structures of various rare-earth and actinide materials observed by modern ARPES techniques, and understand how they can be described using various theoretical frameworks. For 4f-electron materials, ARPES studies of \\text{Ce}M\\text{I}{{\\text{n}}5} (M=\\text{Rh} , \\text{Ir} , and \\text{Co} ) and \\text{YbR}{{\\text{h}}2}\\text{S}{{\\text{i}}2} with various incident photon energies are summarized. We demonstrate that their 4f electronic structures are essentially described within the framework of the periodic Anderson model, and that the band-structure calculation based on the local density approximation cannot explain their low-energy electronic structures. Meanwhile, electronic structures of 5f materials exhibit wide varieties ranging from itinerant to localized states. For itinerant \\text{U}~5f compounds such as \\text{UFeG}{{\\text{a}}5} , their electronic structures can be well-described by the band-structure calculation assuming that all \\text{U}~5f electrons are itinerant. In contrast, the band structures of localized \\text{U}~5f compounds such as \\text{UP}{{\\text{d}}3} and \\text{U}{{\\text{O}}2} are essentially explained by the localized model that treats \\text{U}~5f electrons as localized core states. In regards to heavy fermion \\text{U} -based compounds such as the hidden-order compound \\text{UR}{{\\text{u}}2}\\text{S}{{\\text{i}}2} , their electronic structures exhibit complex behaviors. Their overall band structures

  17. Valence band structure of the icosahedral Ag-In-Yb quasicrystal

    SciTech Connect

    Sharma, H. R.; Simutis, G.; Dhanak, V. R.; Nugent, P. J.; McGrath, R.; Cui, C.; Shimoda, M.; Tsai, A. P.; Ishii, Y.

    2010-03-01

    The valence band structure of the icosahedral (i) Ag-In-Yb quasicrystal, which is isostructural to the binary i-Cd-Yb system, is investigated by ultraviolet photoemission spectroscopy (UPS). Experimental results are compared with electronic-structure calculations of a cubic approximant of the same phase. UPS spectra from the fivefold, threefold, and twofold i-Ag-In-Yb surfaces reveal that the valence band near to the Fermi level is dominated by Yb 4f-derived states, in agreement with calculations. The spectra also exhibit peaks which are surface core level shifted, caused by changes in the electronic structure in surface layers. Calculations yield a pseudogap in the density of states due to a hybridization of the Yb 5d band with the Ag 5p and In 5p bands. Both experimental and calculated band features are very similar to those of Cd-Yb. The modification of the band structure after surface treatment by sputtering and by oxidation is also studied. Additionally, the work function of i-Ag-In-Yb measured from the width of UPS spectrum is found to be almost unaffected by surface orientation, but increases after sputtering or oxidation.

  18. Quasi-random narrow-band model fits to near-infrared low-temperature laboratory methane spectra and derived exponential-sum absorption coefficients

    NASA Technical Reports Server (NTRS)

    Baines, Kevin H.; West, Robert A.; Giver, Lawrence P.; Moreno, Fernando

    1993-01-01

    Near-infrared 10/cm resolution spectra of methane obtained at various temperatures, pressures, and abundances are fit to a quasi-random narrow-band model. Exponential-sum absorption coefficients for three temperatures (112, 188, and 295 K), and 20 pressures from 0.0001 to 5.6 bars, applicable to the cold environments of the major planets, are then derived from the band model for the 230 wavelengths measured from 1.6 to 2.5 microns. RMS deviations between the laboratory and the exponential-sum synthetic transmissions are reported for the best fitting 50 wavelengths. Deviations relevant to broadband, 1-percent spectral resolution observations are also presented. The validity of exponential-sum coefficients derived from broadband (10/cm) transmission data is demonstrated via direct comparison with line-by-line calculations. The complete atlas of coefficients is available from the Planetary Data System-Planetary Atmospheres Discipline Node.

  19. Visible-light absorption and large band-gap bowing of GaN1-xSbx from first principles

    SciTech Connect

    Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; Lisenkov, Sergey; Pendyala, Chandrashekhar; Sunkara, Mahendra K.; Menon, Madhu

    2011-08-01

    Applicability of the Ga(Sbx)N1-x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sbx)N1-x alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sbx)N1-x alloys could be potential candidates for splitting water under visible light irradiation.

  20. Visible-light absorption and large band-gap bowing of GaN1-xSbx from first principles

    DOE PAGESBeta

    Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; Lisenkov, Sergey; Pendyala, Chandrashekhar; Sunkara, Mahendra K.; Menon, Madhu

    2011-08-01

    Applicability of the Ga(Sbx)N1-x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sbx)N1-x alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sbx)N1-x alloys could be potential candidates for splitting water under visible light irradiation.

  1. Evolution of dielectric function of Al-doped ZnO thin films with thermal annealing: effect of band gap expansion and free-electron absorption.

    PubMed

    Li, X D; Chen, T P; Liu, Y; Leong, K C

    2014-09-22

    Evolution of dielectric function of Al-doped ZnO (AZO) thin films with annealing temperature is observed. It is shown that the evolution is due to the changes in both the band gap and the free-electron absorption as a result of the change of free-electron concentration of the AZO thin films. The change of the electron concentration could be attributed to the activation of Al dopant and the creation/annihilation of the donor-like defects like oxygen vacancy in the thin films caused by annealing. PMID:25321779

  2. Wavelength-resolved optical extinction measurements of aerosols using broad-band cavity-enhanced absorption spectroscopy over the spectral range of 445-480 nm.

    PubMed

    Zhao, Weixiong; Dong, Meili; Chen, Weidong; Gu, Xuejun; Hu, Changjin; Gao, Xiaoming; Huang, Wei; Zhang, Weijun

    2013-02-19

    Despite the significant progress in the measurements of aerosol extinction and absorption using spectroscopy approaches such as cavity ring-down spectroscopy (CRDS) and photoacoustic spectroscopy (PAS), the widely used single-wavelength instruments may suffer from the interferences of gases absorption present in the real environment. A second instrument for simultaneous measurement of absorbing gases is required to characterize the effect of light extinction resulted from gases absorption. We present in this paper the development of a blue light-emitting diode (LED)-based incoherent broad-band cavity-enhanced spectroscopy (IBBCEAS) approach for broad-band measurements of wavelength-resolved aerosol extinction over the spectral range of 445-480 nm. This method also allows for simultaneous measurement of trace gases absorption present in the air sample using the same instrument. On the basis of the measured wavelength-dependent aerosol extinction cross section, the real part of the refractive index (RI) can be directly retrieved in a case where the RI does not vary strongly with the wavelength over the relevant spectral region. Laboratory-generated monodispersed aerosols, polystyrene latex spheres (PSL) and ammonium sulfate (AS), were employed for validation of the RI determination by IBBCEAS measurements. On the basis of a Mie scattering model, the real parts of the aerosol RI were retrieved from the measured wavelength-resolved extinction cross sections for both aerosol samples, which are in good agreement with the reported values. The developed IBBCEAS instrument was deployed for simultaneous measurements of aerosol extinction coefficient and NO(2) concentration in ambient air in a suburban site during two representative days. PMID:23320530

  3. Electronic structure of the carbon nanotube tips studied by x-ray-absorption spectroscopy and scanning photoelectron microscopy

    NASA Astrophysics Data System (ADS)

    Chiou, J. W.; Yueh, C. L.; Jan, J. C.; Tsai, H. M.; Pong, W. F.; Hong, I.-H.; Klauser, R.; Tsai, M.-H.; Chang, Y. K.; Chen, Y. Y.; Wu, C. T.; Chen, K. H.; Wei, S. L.; Wen, C. Y.; Chen, L. C.; Chuang, T. J.

    2002-11-01

    Angle-dependent x-ray absorption near edge structure (XANES) and scanning photoelectron microscopy (SPEM) measurements have been performed to differentiate local electronic structures of the tips and sidewalls of highly aligned carbon nanotubes. The intensities of both π*- and σ*-band C K-edge XANES features are found to be significantly enhanced at the tip. SPEM results also show that the tips have a larger density of states and a higher C 1s binding energy than those of sidewalls. The increase of the tip XANES and SPEM intensities are quite uniform over an energy range wider than 10 eV in contrast to earlier finding that the enhancement is only near the Fermi level.

  4. Absorption spectral band width of charge transfer transition of E(T)(30) dye in homogeneous and heterogeneous media.

    PubMed

    Das, Parimal Kumar; Pramanik, Ramkrishna; Bagchi, Sanjib

    2003-06-01

    Solvation characteristics in homogeneous and heterogeneous media have been probed by monitoring the band width of ICT band of 2,6-di-phenyl-4(2,4,6-triphenyl-1-pyridino) phenolate, the indicator solute for E(T)(30) scale, in pure, mixed binary solvents and aqueous micellar solution. Non-ideal solvation behaviour is observed in all the binary solvent mixtures. Index of preferential solvation has been calculated as a function of solvent composition. Study in micellar media indicates that the dye is located at the micelle-water interface. The effects of variation of micelle concentration, temperature and electrolyte concentration have also been studies. PMID:12736053

  5. Structure sensitive bands in the vibrational spectra of metal complexes of tetraphenylporphine

    NASA Astrophysics Data System (ADS)

    Oshio, Hiroki; Ama, Tomoharu; Watanabe, Takeshi; Kincaid, James; Nakamoto, Kazuo

    The i.r. and RR spectra of twenty Fe(TPP)LL' type complexes have been measured to locate structure-sensitive bands. In i.r. spectra, band I (1350-1330 cm -1) and band III (469-432 cm -1) are spin-state sensitive whereas band II (806-790 cm -1) is oxidation-state sensitive and slightly spin-state sensitive in the Fe(II) state. To examine the nature of these bands, the i.r. spectra of Co(TPP), (Fe(TPP)) 2O and their d8 and d20 analogs have been measured, and empirical assignments proposed. In RR spectra, band C (1545-1498 cm -1, ap) and band D (1565-1540 cm -1, p) are spin-state sensitive whereas band E (391-376 cm -1, p) is sensitive to both spin and oxidation states. These results on RR spectra are in good agreement with those of previous workers.

  6. Electronic structure and band alignment at an epitaxial spinel/perovskite heterojunction.

    PubMed

    Qiao, Liang; Li, Wei; Xiao, Haiyan; Meyer, Harry M; Liang, Xuelei; Nguyen, N V; Weber, William J; Biegalski, Michael D

    2014-08-27

    The electronic properties of solid-solid interfaces play critical roles in a variety of technological applications. Recent advances of film epitaxy and characterization techniques have demonstrated a wealth of exotic phenomena at interfaces of oxide materials, which are critically dependent on the alignment of their energy bands across the interface. Here we report a combined photoemission and electrical investigation of the electronic structures across a prototypical spinel/perovskite heterojunction. Energy-level band alignment at an epitaxial Co3O4/SrTiO3(001) heterointerface indicates a chemically abrupt, type I heterojunction without detectable band bending at both the film and substrate. The unexpected band alignment for this typical p-type semiconductor on SrTiO3 is attributed to its intrinsic d-d interband excitation, which significantly narrows the fundamental band gap between the top of the valence band and the bottom of the conduction band. The formation of the type I heterojunction with a flat-band state results in a simultaneous confinement of both electrons and holes inside the Co3O4 layer, thus rendering the epitaxial Co3O4/SrTiO3(001) heterostructure to be a very promising material for high-efficiency luminescence and optoelectronic device applications. PMID:25075939

  7. Band structure of silicene in the tight binding approximation

    SciTech Connect

    Gert, A. V. Nestoklon, M. O.; Yassievich, I. N.

    2015-07-15

    The electronic structure of silicene is simulated by the tight binding method with the basis sp{sup 3}d{sup 5}s*. The results are in good agreement with ab initio calculations. The effective Hamiltonian of silicene in the vicinity of the Dirac point is constructed by the method of invariants. Silicon atoms in silicene are located in two parallel planes displaced perpendicularly to each other by Δ{sub z}; the energy spectrum essentially depends on this displacement. Using the tight binding technique, the coefficients of the effective Hamiltonian are determined for various values of Δ{sub z}.

  8. Quasiparticle band structure of the almost-gapless transition-metal-based Heusler semiconductors

    NASA Astrophysics Data System (ADS)

    Tas, M.; Şaşıoǧlu, E.; Galanakis, I.; Friedrich, C.; Blügel, S.

    2016-05-01

    Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the G W approximation within the framework of the FLAPW method, we study the quasiparticle band structure of a number of such compounds being almost gapless semiconductors. We find that in contrast to the s p -electron based semiconductors such as Si and GaAs, in these systems, the many-body corrections have a minimal effect on the electronic band structure and the energy band gap increases by less than 0.2 eV, which makes the starting point density functional theory (DFT) a good approximation for the description of electronic and optical properties of these materials. Furthermore, the band gap can be tuned either by the variation of the lattice parameter or by the substitution of the s p -chemical element.

  9. Engineering the electronic structure and band gap of boron nitride nanoribbon via external electric field

    NASA Astrophysics Data System (ADS)

    Chegel, Raad

    2016-06-01

    By using the third nearest neighbor modified tight binding (3NN-TB) method, the electronic structure and band gap of BNNRs under transverse electric fields are explored. The band gap of the BNNRs has a decreasing with increasing the intensity of the applied electric field, independent on the ribbon edge types. Furthermore, an analytic model for the dependence of the band gap in armchair and zigzag BNNRs on the electric field is proposed. The reduction of E g is similar for some N a armchair and N z zigzag BNNRs independent of their edges.

  10. Band structure properties of (BGa)P semiconductors for lattice matched integration on (001) silicon

    SciTech Connect

    Hossain, Nadir; Sweeney, Stephen; Hosea, Jeff; Liebich, Sven; Zimprich, Martin; Volz, Kerstin; Stolz, Wolfgang; Kunert, Bernerdette

    2013-12-04

    We report the band structure properties of (BGa)P layers grown on silicon substrate using metal-organic vapour-phase epitaxy. Using surface photo-voltage spectroscopy we find that both the direct and indirect band gaps of (BGa)P alloys (strained and unstrained) decrease with Boron content. Our experimental results suggest that the band gap of (BGa)P layers up to 6% Boron is large and suitable to be used as cladding and contact layers in GaP-based quantum well heterostructures on silicon substrates.

  11. Band-Structure Engineering of Gold Atomic Wires on Silicon by Controlled Doping

    NASA Astrophysics Data System (ADS)

    Choi, Won Hoon; Kang, Pil Gyu; Ryang, Kyung Deuk; Yeom, Han Woong

    2008-03-01

    We report on the systematic tuning of the electronic band structure of atomic wires by controlling the density of impurity atoms. The atomic wires are self-assembled on Si(111) by substitutional gold adsorbates and extra silicon atoms are deposited as the impurity dopants. The one-dimensional electronic band of gold atomic wires, measured by angle-resolved photoemission, changes from a fully metallic to semiconducting one with its band gap increasing above 0.3 eV along with an energy shift as a linear function of the Si dopant density. The gap opening mechanism is suggested to be related to the ordering of the impurities.

  12. Two-zone heterogeneous structure within shear bands of a bulk metallic glass

    SciTech Connect

    Shao, Yang; Yao, Kefu; Liu, Xue; Li, Mo

    2013-10-21

    Shear bands, the main plastic strain carrier in metallic glasses, are severely deformed regions often considered as disordered and featureless. Here we report the observations of a sandwich-like heterogeneous structure inside shear bands in Pd{sub 40.5}Ni{sub 40.5}P{sub 19} metallic glass sample after plastic deformation by high-resolution transmission electron microscopy. The experimental results suggest a two-step plastic deformation mechanism with corresponding microstructure evolution at atomic scale, which may intimately connected to the stability of the shear band propagation and the overall plastic deformability.

  13. Promoting Photochemical Water Oxidation with Metallic Band Structures.

    PubMed

    Liu, Hongfei; Moré, René; Grundmann, Henrik; Cui, Chunhua; Erni, Rolf; Patzke, Greta R

    2016-02-10

    The development of economic water oxidation catalysts is a key step toward large-scale water splitting. However, their current exploration remains empirical to a large extent. Elucidating the correlations between electronic properties and catalytic activity is crucial for deriving general and straightforward catalyst design principles. Herein, strongly correlated electronic systems with abundant and easily tunable electronic properties, namely La(1-x)Sr(x)BO3 perovskites and La(2-x)Sr(x)BO4 layered perovskites (B = Fe, Co, Ni, or Mn), were employed as model systems to identify favorable electronic structures for water oxidation. We established a direct correlation between the enhancement of catalytic activity and the insulator to metal transition through tuning the electronic properties of the target perovskite families via the La(3+)/Sr(2+) ratio. Their improved photochemical water oxidation performance was clearly linked to the increasingly metallic character. These electronic structure-activity relations provide a promising guideline for constructing efficient water oxidation catalysts. PMID:26771537

  14. Biomimetic cellular metals-using hierarchical structuring for energy absorption.

    PubMed

    Bührig-Polaczek, A; Fleck, C; Speck, T; Schüler, P; Fischer, S F; Caliaro, M; Thielen, M

    2016-01-01

    Fruit walls as well as nut and seed shells typically perform a multitude of functions. One of the biologically most important functions consists in the direct or indirect protection of the seeds from mechanical damage or other negative environmental influences. This qualifies such biological structures as role models for the development of new materials and components that protect commodities and/or persons from damage caused for example by impacts due to rough handling or crashes. We were able to show how the mechanical properties of metal foam based components can be improved by altering their structure on various hierarchical levels inspired by features and principles important for the impact and/or puncture resistance of the biological role models, rather than by tuning the properties of the bulk material. For this various investigation methods have been established which combine mechanical testing with different imaging methods, as well as with in situ and ex situ mechanical testing methods. Different structural hierarchies especially important for the mechanical deformation and failure behaviour of the biological role models, pomelo fruit (Citrus maxima) and Macadamia integrifolia, were identified. They were abstracted and transferred into corresponding structural principles and thus hierarchically structured bio-inspired metal foams have been designed. A production route for metal based bio-inspired structures by investment casting was successfully established. This allows the production of complex and reliable structures, by implementing and combining different hierarchical structural elements found in the biological concept generators, such as strut design and integration of fibres, as well as by minimising casting defects. To evaluate the structural effects, similar investigation methods and mechanical tests were applied to both the biological role models and the metallic foams. As a result an even deeper quantitative understanding of the form-structure

  15. Electronic structure of ZnO nanorods studied by angle-dependent x-ray absorption spectroscopy and scanning photoelectron microscopy

    NASA Astrophysics Data System (ADS)

    Chiou, J. W.; Jan, J. C.; Tsai, H. M.; Bao, C. W.; Pong, W. F.; Tsai, M.-H.; Hong, I.-H.; Klauser, R.; Lee, J. F.; Wu, J. J.; Liu, S. C.

    2004-05-01

    Angle-dependent x-ray absorption near-edge structure (XANES) and scanning photoelectron microscopy measurements were performed to differentiate local electronic structures at the tips and sidewalls of highly aligned ZnO nanorods. The overall intensity of the O K-edge XANES spectra is greatly enhanced for small photon incident angles. In contrast, the overall intensity of the Zn K-edge XANES is much less sensitive to the photon incident angle. Both valence-band photoemission and O K-edge XANES spectra show substantial enhancement of O 2p derived states near the valence band maximum and conduction band minimum, respectively. The spatially resolved Zn 3d core level spectra from tip and sidewall regions show the lack of chemical shift. All the results consistently suggest that the tip surfaces of the highly aligned ZnO nanorods are terminated by O ions and the nanorods are oriented in the [0001¯] direction.

  16. Band structure analysis of (1 × 2)-H/Pd(110)-pr

    NASA Astrophysics Data System (ADS)

    Shuttleworth, I. G.

    2013-09-01

    A novel method of band structure analysis based on the atomic orbital (AO) coefficients in LCAO-DFT has been applied to the (1 × 2)-H/Pd(110)-pr system. The analysis has revealed symmetry-dependent Pd 4d band splitting due to H ligand effects; ensemble effects due to the (1 × 2) Pd reconstruction are shown to be relatively minor.

  17. Broadband light absorption by tapered metal-dielectric multilayered grating structures

    NASA Astrophysics Data System (ADS)

    Wu, Jun

    2016-04-01

    We present the design and numerical simulations of a polarization-insensitive broadband infrared absorber with a tapered metal-dielectric multilayered grating structure. The absorber exhibits perfect absorption simultaneously at multiple frequencies close to one another, leading to a broadband absorption. Polarization-insensitive absorption of above 90% is observed at wavelengths of 2749-4966 nm, and the broadband absorption remains high for a wide range of incident angles. The electromagnetic field distributions at several selected wavelengths for both TE and TM polarizations are investigated to disclose the broadband absorption mechanism. It is anticipated that the designed broadband absorber can be applied in the field of thermal emitter, IR cloaking and solar power harvesting.

  18. Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene.

    PubMed

    Paavilainen, Sami; Ropo, Matti; Nieminen, Jouko; Akola, Jaakko; Räsänen, Esa

    2016-06-01

    We uncover the electronic structure of molecular graphene produced by adsorbed CO molecules on a copper (111) surface by means of first-principles calculations. Our results show that the band structure is fundamentally different from that of conventional graphene, and the unique features of the electronic states arise from coexisting honeycomb and Kagome symmetries. Furthermore, the Dirac cone does not appear at the K-point but at the Γ-point in the reciprocal space and is accompanied by a third, almost flat band. Calculations of the surface structure with Kekulé distortion show a gap opening at the Dirac point in agreement with experiments. Simple tight-binding models are used to support the first-principles results and to explain the physical characteristics behind the electronic band structures. PMID:27176628

  19. Observation of Nonlinear Looped Band Structure of Bose-Einstein condensates in an optical lattice

    NASA Astrophysics Data System (ADS)

    Goldschmidt, Elizabeth; Koller, Silvio; Brown, Roger; Wyllie, Robert; Wilson, Ryan; Porto, Trey

    2016-05-01

    We study experimentally the stability of excited, interacting states of bosons in a double-well optical lattice in regimes where the nonlinear interactions are expected to induce ``swallow-tail'' looped band structure. By carefully preparing different initial coherent states and observing their subsequent decay, we observe distinct decay rates, which provide direct evidence for multi-valued band structure. The double well lattice both stabilizes the looped band structure and allows for dynamic preparation of different initial states, including states within the loop structure. We confirm our state preparation procedure with dynamic Gross-Pitaevskii calculations. The excited loop states are found to be more stable than dynamically unstable ground states, but decay faster than expected based on a mean-field stability calculation, indicating the importance of correlations beyond a mean-field description. Now at Georgia Tech Research Institute.

  20. Predicted band structures of III-V semiconductors in the wurtzite phase

    SciTech Connect

    De, A.; Pryor, Craig E.

    2010-04-15

    While non-nitride III-V semiconductors typically have a zinc-blende structure, they may also form wurtzite crystals under pressure or when grown as nanowhiskers. This makes electronic structure calculation difficult since the band structures of wurtzite III-V semiconductors are poorly characterized. We have calculated the electronic band structure for nine III-V semiconductors in the wurtzite phase using transferable empirical pseudopotentials including spin-orbit coupling. We find that all the materials have direct gaps. Our results differ significantly from earlier ab initio calculations, and where experimental results are available (InP, InAs, and GaAs) our calculated band gaps are in good agreement. We tabulate energies, effective masses, and linear and cubic Dresselhaus zero-field spin-splitting coefficients for the zone-center states. The large zero-field spin-splitting coefficients we find may facilitate the development of spin-based devices.

  1. Polarization-dependent diffraction in all-dielectric, twisted-band structures

    NASA Astrophysics Data System (ADS)

    Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr

    2015-11-01

    We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

  2. Polarization-dependent diffraction in all-dielectric, twisted-band structures

    SciTech Connect

    Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr

    2015-11-23

    We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

  3. Research on the large band gaps in multilayer radial phononic crystal structure

    NASA Astrophysics Data System (ADS)

    Gao, Nansha; Wu, Jiu Hui; Guan, Dong

    2016-04-01

    In this paper, we study the band gaps (BGs) of new proposed radial phononic crystal (RPC) structure composed of multilayer sections. The band structure, transmission spectra and eigenmode displacement fields of the multilayer RPC are calculated by using finite element method (FEM). Due to the vibration coupling effects between thin circular plate and intermediate mass, the RPC structure can exhibit large BGs, which can be effectively shifted by changing the different geometry values. This study shows that multilayer RPC can unfold larger and lower BGs than traditional phononic crystals (PCs) and RPC can be composed of single material.

  4. Rovibrational Intensities of the (00 03) ← (10 00) Dyad Absorption Bands of 12C 16O 2

    NASA Astrophysics Data System (ADS)

    Kshirsagar, Rohidas J.; Giver, Lawrence P.; Chackerian, Charles

    2000-02-01

    Absolute line intensities of 12C16O2 are experimentally measured for the first time for the (0003)I ← (1000)II band at 5687.17 cm-1 and the (0003)I ← (1000)I band at 5584.39 cm-1. The spectra were obtained using a Bomem DA8 Fourier transform spectrometer and a 25-m base-path White cell at NASA-Ames Research Center. The rotationless bandstrengths at a temperature of 296 K and the Herman-Wallis parameters are S0vib = 6.68(30) × 10-25 cm-1/(molecule/cm2); A1 = 1.4(9) × 10-4, and A2 = -1.1(5) × 10-5 for the (0003)I ← (1000)II band and S0vib = 6.07(22) × 10-25 cm-1/(molecule/cm2); A1 = 5.2(1.5) × 10-4 and A2 = -4.0(7) × 10-5 for the (0003)I ← (1000)I band.

  5. The electronic structures of vanadate salts: Cation substitution as a tool for band gap manipulation

    NASA Astrophysics Data System (ADS)

    Dolgos, Michelle R.; Paraskos, Alexandra M.; Stoltzfus, Matthew W.; Yarnell, Samantha C.; Woodward, Patrick M.

    2009-07-01

    The electronic structures of six ternary metal oxides containing isolated vanadate ions, Ba 3(VO 4) 2, Pb 3(VO 4) 2, YVO 4, BiVO 4, CeVO 4 and Ag 3VO 4 were studied using diffuse reflectance spectroscopy and electronic structure calculations. While the electronic structure near the Fermi level originates largely from the molecular orbitals of the vanadate ion, both experiment and theory show that the cation can strongly influence these electronic states. The observation that Ba 3(VO 4) 2 and YVO 4 have similar band gaps, both 3.8 eV, shows that cations with a noble gas configuration have little impact on the electronic structure. Band structure calculations support this hypothesis. In Pb 3(VO 4) 2 and BiVO 4 the band gap is reduced by 0.9-1.0 eV through interactions of (a) the filled cation 6 s orbitals with nonbonding O 2 p states at the top of the valence band, and (b) overlap of empty 6 p orbitals with antibonding V 3 d-O 2 p states at the bottom of the conduction band. In Ag 3VO 4 mixing between filled Ag 4 d and O 2 p states destabilizes states at the top of the valence band leading to a large decrease in the band gap ( Eg=2.2 eV). In CeVO 4 excitations from partially filled 4 f orbitals into the conduction band lower the effective band gap to 1.8 eV. In the Ce 1-xBi xVO 4 (0≤ x≤0.5) and Ce 1-xY xVO 4 ( x=0.1, 0.2) solid solutions the band gap narrows slightly when Bi 3+ or Y 3+ are introduced. The nonlinear response of the band gap to changes in composition is a result of the localized nature of the Ce 4 f orbitals.

  6. Band structure and dispersion engineering of strongly coupled plasmon-phonon-polaritons in graphene-integrated structures.

    PubMed

    Liu, Feng; Zhan, Tianrong; Zhu, Alexander Y; Yi, Fei; Shi, Wangzhou

    2016-01-25

    We theoretically investigate the polaritonic band structure and dispersion properties of graphene using transfer matrix methods, with strongly coupled graphene plasmons (GPs) and molecular infrared vibrations as a representative example. Two common geometrical configurations are considered: graphene coupled subwavelength dielectric grating (GSWDG) and graphene nanoribbons (GNR). By exploiting the dispersion and the band structure, we show the possibility of tailoring desired polaritonic behavior in each of the two configurations. We compare the strength of coupling occurring in both structures and find that the interaction is stronger in GNR than that of GSWDG structure as a result of the stronger field confinement of the edge modes. The band structure and dispersion analysis not only sheds light on the physics of the hybridized polariton formation but also offers insight into tailoring the optical response of graphene light-matter interactions for numerous applications, such as biomolecular sensing and detection. PMID:26832528

  7. Voyager 1 imaging and IRIS observations of Jovian methane absorption and thermal emission: Implications for cloud structure

    NASA Technical Reports Server (NTRS)

    West, R. A.; Kupferman, P. N.; Hart, H.

    1984-01-01

    Images from three filters of the Voyager 1 wide angle camera are used to measure the continuum reflectivity and spectral gradient near 6000 A and the 6190 A band methane/continuum ratio for a variety of cloud features in Jupiter's atmosphere. The dark barge features in the North Equatorial Belt have anomalously strong positive continuum spectral gradients suggesting unique composition. Methane absorption is shown at unprecedented spatial scales for the Great Red Spot and its immediate environment, for a dark barge feature in the North Equatorial Belt, and for two hot spot and plume regions in the North Equatorial Belt. Methane absorption and five micrometer emission are correlated in the vicinity of the Great Red Spot but are anticorrelated in one of the plume hot spot regions. Methane absorption and simultaneous maps of five micrometer brightness temperature is quantitatively compared to realistic cloud structure models which include multiple scattering at five micrometer as well as in the visible. Variability in H2 quadrupole lines are also investigated.

  8. Voyager 1 imaging and IRIS observations of Jovian methane absorption and thermal emission - Implications for cloud structure

    NASA Technical Reports Server (NTRS)

    West, R. A.; Kupferman, P. N.; Hart, H.

    1985-01-01

    Images from three filters of the Voyager 1 wide angle camera are used to measure the continuum reflectivity and spectral gradient near 6000 A and the 6190 A band methane/continuum ratio for a variety of cloud features in Jupiter's atmosphere. The dark barge features in the North Equatorial Belt have anomalously strong positive continuum spectral gradients suggesting unique composition. Methane absorption is shown at unprecedented spatial scales for the Great Red Spot and its immediate environment, for a dark barge feature in the North Equatorial Belt, and for two hot spot and plume regions in the North Equatorial Belt. Methane absorption and five micrometer emission are correlated in the vicinity of the Great Red Spot but are anticorrelated in one of the plume hot spot regions. Methane absorption and simultaneous maps of five micrometer brightness temperature are quantitatively compared to realistic cloud structure models which include multiple scattering at five micrometer as well as in the visible. Variability in H2 quadrupole lines are also investigated.

  9. Molecular structures and absorption spectra assignment of corrole NH tautomers.

    PubMed

    Beenken, Wichard; Presselt, Martin; Ngo, Thien H; Dehaen, Wim; Maes, Wouter; Kruk, Mikalai

    2014-02-01

    The individual absorption spectra of the two NH tautomers of 10-(4,6-dichloropyrimidin-5-yl)-5,15-dimesitylcorrole are assigned on the basis of the Gouterman four-orbital model and a quantum chemical TD-DFT study. The assignment indicates that the red-shifted T1 tautomer is the one with protonated pyrrole nitrogen atoms N(21), N(22) and N(23), whereas the blue-shifted T2 tautomer has pyrrole nitrogen atoms N(21), N(22) and N(24) protonated. A wave-like nonplanar distortion of the macrocycle in the ground state is found for both NH tautomers, with the wave axis going through the pyrroles containing N(22) and N(24). The 7C plane determined by the least-squares distances to the carbon atoms C1, C4, C5, C6, C9, C16, and C19 is suggested as a mean corrole macrocycle plane for the analysis of out-of-plane distortions. The magnitude of these distortions is distinctly different for the two NH tautomers, leading to substantial perturbations of their acid-base properties, which are rationalized by the interplay of the degree of out-of-plane distortion of the macrocycle as a whole and the tendency of the pyrrole nitrogen atoms toward pyramidalization, with the former leading to a basicity increase whereas the latter enhances the acidity. PMID:24432802

  10. Structural vs electronic origin of renormalized band widths in TTF-TCNQ: An angular dependent NEXAFS study

    NASA Astrophysics Data System (ADS)

    Sing, M.; Meyer, J.; Hoinkis, M.; Glawion, S.; Blaha, P.; Gavrila, G.; Jacobsen, C. S.; Claessen, R.

    2007-12-01

    We have performed angle-dependent near-edge x-ray absorption fine structure measurements in the Auger electron yield mode on the correlated quasi-one-dimensional organic conductor tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) in order to determine the orientation of the molecules in the topmost surface layer. We find that the tilt angles of the molecules with respect to the one-dimensional axis are essentially the same as in the bulk. Thus, we can rule out surface relaxation as the origin of the renormalized band widths which were inferred from the analysis of photoemission data within the one-dimensional Hubbard model. Thereby, recent theoretical results are corroborated which invoke long-range Coulomb repulsion as alternative explanation to understand the spectral dispersions of TTF-TCNQ quantitatively within an extended Hubbard model.

  11. Structural vs electronic origin of renormalized band widths in TTF-TCNQ: An angular dependent NEXAFS study

    SciTech Connect

    Sing, M.; Meyer, J.; Glawion, S.; Claessen, R.; Hoinkis, M.; Blaha, P.; Gavrila, G.; Jacobsen, C. S.

    2007-12-15

    We have performed angle-dependent near-edge x-ray absorption fine structure measurements in the Auger electron yield mode on the correlated quasi-one-dimensional organic conductor tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) in order to determine the orientation of the molecules in the topmost surface layer. We find that the tilt angles of the molecules with respect to the one-dimensional axis are essentially the same as in the bulk. Thus, we can rule out surface relaxation as the origin of the renormalized band widths which were inferred from the analysis of photoemission data within the one-dimensional Hubbard model. Thereby, recent theoretical results are corroborated which invoke long-range Coulomb repulsion as alternative explanation to understand the spectral dispersions of TTF-TCNQ quantitatively within an extended Hubbard model.

  12. Core-hole effects on theoretical electron-energy-loss near-edge structure and near-edge x-ray absorption fine structure of MgO

    NASA Astrophysics Data System (ADS)

    Mizoguchi, Teruyasu; Tanaka, Isao; Yoshiya, Masato; Oba, Fumiyasu; Ogasawara, Kazuyoshi; Adachi, Hirohiko

    2000-01-01

    First-principles molecular orbital calculations using model clusters are made in order to reproduce and interpret experimental electron-energy-loss near-edge structure and near-edge x-ray absorption fine structure of MgO at Mg K, L2,3 and O K edges. Ground-state calculations using a model cluster composed of 125 atoms and by a band-structure method are in good agreement, but they do not reproduce the experimental spectra satisfactory. They are well reproduced only by the cluster calculations for the Slater transition state, where a half-electron is removed from a core orbital and placed into the lowest unoccupied molecular orbital. The core-hole effect is therefore essential for theoretical reproduction of the spectral shapes. A large supercell is required to reproduce the experimental spectra when one uses a band-structure method. The origin of peaks appearing in the experimental spectra is interpreted in terms of orbital interactions using overlap-population diagrams. Some features of the spectra at different edges are pointed out to have common origins. Experimental spectra are aligned accordingly. The transition energies and qualitative features of experimental spectra are found to be reproduced even using a smaller cluster composed of 27 atoms, although some of fine structure is missing.

  13. Structural transformations of stacking fault tetrahedra upon the absorption of point defects

    NASA Astrophysics Data System (ADS)

    Poletaev, G. M.; Starostenkov, M. D.

    2009-01-01

    Mechanisms of the structural modification of stacking fault tetrahedra (SFTs) upon the absorption of point defects have been studied by the method of molecular dynamics. The sequential absorption of vacancies by a perfect SFT is accompanied by the following transformations: (i) the formation of a step on one of the SFT faces, (ii) a change in the step sign upon reaching the middle of the face, (iii) the formation of an SFT with truncated vertex, and (iv) the formation of the perfect SFT. Upon the absorption of interstitial atoms, the stages of SFT transformation follow the reverse order.

  14. UWB Band-notched Adjustable Antenna Using Concentric Split-ring Slots Structure

    NASA Astrophysics Data System (ADS)

    Yin, Y.; Hong, J. S.

    2014-09-01

    In this paper, a kind of concentric split-ring slots structure is utilized to design a novel triple-band-notched UWB antenna. Firstly, a concentric split-ring slots structure that has a higher VSWR than that of a single slot at notch frequency is presented. What's more, the structure is very simple and feasible to obtain notched-band at different frequency by adjustment of the length of slot. Secondly, a triple-band-notched antenna, whose notched bands are at 3.52-3.81 GHz for WiMAX and 5.03-5.42 GHz and 5.73-56.17 GHz for WLAN, is designed by using this structure. At last, a compact size of 24 × 30 mm2 of the proposed antenna has been fabricated and measured and it is shown that the proposed antenna has a broadband matched impedance (3.05-14 GHz, VSWR < 2), relatively stable gain and good omnidirectional radiation patterns at low bands.

  15. Electron-Phonon Renormalization of Electronic Band Structures of C Allotropes and BN Polymorphs

    NASA Astrophysics Data System (ADS)

    Tutchton, Roxanne M.; Marchbanks, Christopher; Wu, Zhigang

    The effect of lattice vibration on electronic band structures has been mostly neglected in first-principles calculations because the electron-phonon (e-ph) renormalization of quasi-particle energies is often small (< 100 meV). However, in certain materials, such as diamond, the electron-phonon coupling reduces the band gap by nearly 0.5 eV, which is comparable to the many-body corrections of the electronic band structures calculated using the density functional theory (DFT). In this work, we compared two implementations of the Allen-Heine-Cardona theory in the EPW code and the ABINIT package respectively. Our computations of Si and diamond demonstrate that the ABINIT implementation converges much faster. Using this method, the e-ph renormalizations of electronic structures of three C allotropes (diamond, graphite, graphene) and four BN polymorphs (zincblend, wurtzite, mono-layer, and layered-hexagonal) were calculated. Our results suggest that (1) all of the zero-point renormalizations of band gaps in these materials, except for graphene, are larger than 100 meV, and (2) there are large variations in e-ph renormalization of band gaps due to differences in crystal structure. This work was supported by a U.S. DOE Early Career Award (Grant No. DE-SC0006433). Computations were carried out at the Golden Energy Computing Organization at CSM and the National Energy Research Scientific Computing Center (NERSC).

  16. Band structures of nonmagnetic transition-metal oxides: PdO and PtO

    SciTech Connect

    Hass, K.C. ); Carlsson, A.E. )

    1992-08-15

    The electronic band structures of PdO and PtO are calculated using the augmented-spherical-wave method and the local-density approximation. Our results are consistent with the widely held view of these materials as conventional band insulators with the crystal-field splitting of metal {ital d} states primarily responsible for gap formation. A significant role for correlation effects as well cannot be ruled out. The predicted valence-band structure for PdO agrees well with published photoemission data. The electronic structure of PtO is qualitatively similar. In both cases the calculated gap is direct and occurs at the {ital M} point of the Brillouin zone. The magnitude of the gap is found to be larger in PtO, which we attribute to the more relativistic nature of Pt compared to Pd.

  17. Ab initio theory for ultrafast magnetization dynamics with a dynamic band structure

    NASA Astrophysics Data System (ADS)

    Mueller, B. Y.; Haag, M.; Fähnle, M.

    2016-09-01

    Laser-induced modifications of magnetic materials on very small spatial dimensions and ultrashort timescales are a promising field for novel storage and spintronic devices. Therefore, the contribution of electron-electron spin-flip scattering to the ultrafast demagnetization of ferromagnets after an ultrashort laser excitation is investigated. In this work, the dynamical change of the band structure resulting from the change of the magnetization in time is taken into account on an ab initio level. We find a large influence of the dynamical band structure on the magnetization dynamics and we illustrate the thermalization and relaxation process after laser irradiation. Treating the dynamical band structure yields a demagnetization comparable to the experimental one.

  18. Valence-band electronic structure evolution of graphene oxide upon thermal annealing for optoelectronics

    DOE PAGESBeta

    Yamaguchi, Hisato; Ogawa, Shuichi; Watanabe, Daiki; Hozumi, Hideaki; Gao, Yongqian; Eda, Goki; Mattevi, Cecilia; Fujita, Takeshi; Yoshigoe, Akitaka; Ishizuka, Shinji; et al

    2016-04-08

    We report valence band electronic structure evolution of graphene oxide (GO) upon its thermal reduction. Degree of oxygen functionalization was controlled by annealing temperatures, and an electronic structure evolution was monitored using real-time ultraviolet photoelectron spectroscopy. We observed a drastic increase in density of states around the Fermi level upon thermal annealing at ~600 °C. The result indicates that while there is an apparent band gap for GO prior to a thermal reduction, the gap closes after an annealing around that temperature. This trend of band gap closure was correlated with electrical, chemical, and structural properties to determine a setmore » of GO material properties that is optimal for optoelectronics. The results revealed that annealing at a temperature of ~500 °C leads to the desired properties, demonstrated by a uniform and an order of magnitude enhanced photocurrent map of an individual GO sheet compared to as-synthesized counterpart.« less

  19. The Effect of Heat on Structural Characteristics and Water Absorption Behavior of Agave Fibers

    NASA Astrophysics Data System (ADS)

    Saikia, Dip

    2008-04-01

    The structural characteristics and water absorptions behavior agave fibers were investigated over a range of temperature by using XRD, IR, TG and gravimetric methods. Three distinct thermal processes were observed during heating the fiber in the temperature range 310-760 K in air, oxygen and nitrogen invariably. The cellulose structures of the fibers were unaffected on heating up to 450 K. The samples showed thermal decomposition processes beyond 500 K. Fibers displayed a two-stage diffusion behavior. The structural parameters and kinetic of water absorption of the fibers at specific temperatures were analyzed.

  20. Electronic structure of graphene on a reconstructed Pt(100) surface: Hydrogen adsorption, doping, and band gaps

    NASA Astrophysics Data System (ADS)

    Ulstrup, Søren; Nilsson, Louis; Miwa, Jill A.; Balog, Richard; Bianchi, Marco; Hornekær, Liv; Hofmann, Philip

    2013-09-01

    We probe the structure and electronic band structure of graphene grown on a Pt(100) substrate using scanning tunneling microscopy, low energy electron diffraction, and angle-resolved photoemission spectroscopy. It is found that the graphene layer lacks a well-defined azimuthal orientation with respect to the substrate, causing a circular smearing of the π band instead of a well-defined Dirac cone near the Fermi level. The graphene is found to be electron doped placing the Dirac point ˜0.45 eV below the Fermi level, and a gap of 0.15±0.03 eV is found at the Dirac point. We dose atomic hydrogen and monitor the coverage on the graphene by analyzing the impurity-induced broadening of the π-band width. Saturation of graphene on Pt(100) with hydrogen does not expand the band gap, but instead hydrogen-mediated broadening and rehybridization of the graphene sp2 bonds into sp3 leads to a complete disruption of the graphene π band, induces a lifting of the Pt(100) reconstruction, and introduces a dispersing Pt state near the Fermi level. Deposition of rubidium on graphene on Pt(100) leads to further electron doping, pushing the Dirac point to a binding energy of ˜1.35 eV, and increasing the band gap to 0.65±0.04 eV.

  1. Band structure tunability in MoS2 under interlayer compression: A DFT and GW study

    NASA Astrophysics Data System (ADS)

    Espejo, C.; Rangel, T.; Romero, A. H.; Gonze, X.; Rignanese, G.-M.

    2013-06-01

    The electronic band structures of MoS2 monolayer and 2H1 bulk polytype are studied within density-functional theory (DFT) and many-body perturbation theory (GW approximation). Interlayer van der Waals (vdW) interactions, responsible for bulk binding, are calculated with the postprocessing Wannier functions method. From both fat bands and Wannier functions analysis, it is shown that the transition from a direct band gap in the monolayer to an indirect band gap in bilayer or bulk systems is triggered by medium- to short-range electronic interactions between adjacent layers, which arise at the equilibrium interlayer distance determined by the balance between vdW attraction and exchange repulsion. The semiconductor-to-semimetal (S-SM) transition is found from both theoretical methods: around c=10.7 Å and c=9.9 Å for DFT and GW, respectively. A metallic transition is also observed for the interlayer distance c=9.7 Å. Dirac conelike band structures and linear bands near Fermi level are found for shorter c lattice parameter values. The VdW correction to total energy was used to estimate the pressure at which S-SM transition takes place from a fitting to a model equation of state.

  2. Effect of electron correlations on the Fe3Si and α -FeSi2 band structure and optical properties

    NASA Astrophysics Data System (ADS)

    Sandalov, Igor; Zamkova, Natalia; Zhandun, Vyacheslav; Tarasov, Ivan; Varnakov, Sergey; Yakovlev, Ivan; Solovyov, Leonid; Ovchinnikov, Sergey

    2015-11-01

    We use the Vienna ab initio simulation package (vasp) for evaluation of the quasiparticle spectra and their spectral weights within Hedin's GW approximation (GWA) for Fe3Si and α -FeSi2 within the non-self-consistent one-shot approximation G0W0 and self-consistent scGWA with the vertex corrections in the particle-hole channel, taken in the form of two-point kernel. As input for G0W0 , the band structure and wave functions evaluated within the generalized gradient corrected local-density approximation to density functional theory (GGA) have been used. The spectral weights of quasiparticles in these compounds deviate from unity everywhere and show nonmonotonic behavior in those parts of bands where the delocalized states contribute to their formation. The G0W0 and scGWA spectral weights are the same within 2%-5%. The scGWA shows a general tendency to return G0W0 bands to their GGA positions for the delocalized states, while in the flat bands it flattens even more. Variable angle spectroscopic ellipsometry measurements at T =296 K on grown single-crystalline ˜50 -nm-thick films of Fe3Si on n -Si(111) wafer have been performed in the interval of energies ω ˜(1.3 -5 ) eV. The comparison of G0W0 and scGW theory with experimental real and imaginary parts of permittivity, refractive index, extinction and absorption coefficients, reflectivity, and electron energy loss function shows that both G0W0 and scGW qualitatively describe experiment correctly, the position of the low-energy peaks is described better by the scGW theory, however, its detailed structure is not observed in the experimental curves. We suggest that the angle-resolved photoemission spectroscopy experiments, which can reveal the fine details of the quasiparticle band structure and spectral weights, could help to understand (i) if the scGWA with this type of vertex correction is sufficiently good for description of these iron silicides and, possibly, (ii) why some features of calculated permittivity are

  3. A Multi-Band Analytical Algorithm for Deriving Absorption and Backscattering Coefficients from Remote-Sensing Reflectance of Optically Deep Waters

    NASA Technical Reports Server (NTRS)

    Lee, Zhong-Ping; Carder, Kendall L.

    2001-01-01

    A multi-band analytical (MBA) algorithm is developed to retrieve absorption and backscattering coefficients for optically deep waters, which can be applied to data from past and current satellite sensors, as well as data from hyperspectral sensors. This MBA algorithm applies a remote-sensing reflectance model derived from the Radiative Transfer Equation, and values of absorption and backscattering coefficients are analytically calculated from values of remote-sensing reflectance. There are only limited empirical relationships involved in the algorithm, which implies that this MBA algorithm could be applied to a wide dynamic range of waters. Applying the algorithm to a simulated non-"Case 1" data set, which has no relation to the development of the algorithm, the percentage error for the total absorption coefficient at 440 nm a (sub 440) is approximately 12% for a range of 0.012 - 2.1 per meter (approximately 6% for a (sub 440) less than approximately 0.3 per meter), while a traditional band-ratio approach returns a percentage error of approximately 30%. Applying it to a field data set ranging from 0.025 to 2.0 per meter, the result for a (sub 440) is very close to that using a full spectrum optimization technique (9.6% difference). Compared to the optimization approach, the MBA algorithm cuts the computation time dramatically with only a small sacrifice in accuracy, making it suitable for processing large data sets such as satellite images. Significant improvements over empirical algorithms have also been achieved in retrieving the optical properties of optically deep waters.

  4. Band Structure of Helimagnons in MnSi Resolved by Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Kugler, M.; Brandl, G.; Waizner, J.; Janoschek, M.; Georgii, R.; Bauer, A.; Seemann, K.; Rosch, A.; Pfleiderer, C.; Böni, P.; Garst, M.

    2015-08-01

    A magnetic helix realizes a one-dimensional magnetic crystal with a period given by the pitch length λh . Its spin-wave excitations—the helimagnons—experience Bragg scattering off this periodicity, leading to gaps in the spectrum that inhibit their propagation along the pitch direction. Using high-resolution inelastic neutron scattering, the resulting band structure of helimagnons was resolved by preparing a single crystal of MnSi in a single magnetic-helix domain. At least five helimagnon bands could be identified that cover the crossover from flat bands at low energies with helimagnons basically localized along the pitch direction to dispersing bands at higher energies. In the low-energy limit, we find the helimagnon spectrum to be determined by a universal, parameter-free theory. Taking into account corrections to this low-energy theory, quantitative agreement is obtained in the entire energy range studied with the help of a single fitting parameter.

  5. Transient band structures in the ultrafast demagnetization of ferromagnetic gadolinium and terbium

    NASA Astrophysics Data System (ADS)

    Teichmann, Martin; Frietsch, Björn; Döbrich, Kristian; Carley, Robert; Weinelt, Martin

    2015-01-01

    We compare the laser-driven demagnetization dynamics of the rare earths gadolinium and terbium by mapping their transient valance band structures with time- and angle-resolved photoelectron spectroscopy. In both metals, the minority and majority spin valence bands evolve independently with different time constants after optical excitation. The ultrafast shift of the partially unoccupied minority spin bulk band to higher binding energy and of the majority spin surface state to lower binding energy suggests spin transport between surface and bulk. The slower response of the fully occupied majority spin band follows the lattice temperature and is attributed to Elliott-Yafet type spin-flip scattering. Terbium shows a stronger and faster decay of the exchange splitting, pointing to ultrafast magnon emission via 4 f spin-to-lattice coupling.

  6. Correlation between atmospheric O4 and H2O absorption in visible band and its implication to dust and haze events in Shanghai, China

    NASA Astrophysics Data System (ADS)

    Wang, Shanshan; Zhao, Heng; Yang, Suna; Wang, Zhuoru; Zhou, Bin; Chen, Limin

    2012-12-01

    Ground-based zenith-sky DOAS observation was carried out from October 1, 2009 to September 30, 2010 in Shanghai, China to measure the O4 and H2O absorption in visible band and to illustrate the dependence of their correlation slope on the aerosol pollution type. Good correlations between O4 and H2O DSCDs can be found through linear regression analysis whether it was sunny, cloudy, overcast, or rainy. The correlation slope varied seasonally in the order of summer < autumn, spring < winter. In particular, the correlation slope and fluctuation were small in the summer. It was found that slope values also relied on sky conditions generally in the sequence of dusty > sunny > cloudy > overcast > rainy. The implication of the variation of slope to the aerosol pollution type was discussed for typical heavy dust and haze episodes occurred in March 2010 and October 2009, respectively. As the correlation slope abruptly increased during the heavy dust due to low moisture content and enhanced O4 absorption caused by abundant suspended dry crustal particles, the slope dropped suddenly in the haze episode owing to the significant augment of H2O absorption. Thus, the much discrepant correlation patterns may be regarded as a characteristic signature for dust and haze events.

  7. Enlarged band gap and electron switch in graphene-based step-barrier structure

    SciTech Connect

    Lu, Wei-Tao Ye, Cheng-Zhi; Li, Wen

    2013-11-04

    We study the transmission through a step-barrier in gapped graphene and propose a method to enlarge the band gap. The step-barrier structure consists of two or more barriers with different strengths. It is found that the band gap could be effectively enlarged and controlled by adjusting the barrier strengths in the light of the mass term. Klein tunneling at oblique incidence is suppressed due to the asymmetry of step-barrier, contrary to the cases in single-barrier and superlattices. Furthermore, a tunable conductance channel could be opened up in the conductance gap, suggesting an application of the structure as an electron switch.

  8. Structural studies and band gap tuning of Cr doped ZnO nanoparticles

    SciTech Connect

    Srinet, Gunjan Kumar, Ravindra Sajal, Vivek

    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.

  9. Effective parameters in beam acoustic metamaterials based on energy band structures

    NASA Astrophysics Data System (ADS)

    Jing, Li; Wu, Jiu Hui; Guan, Dong; Hou, Mingming; Kuan, Lu; Shen, Li

    2016-07-01

    We present a method to calculate the effective material parameters of beam acoustic metamaterials. The effective material parameters of a periodic beam are calculated as an example. The dispersion relations and energy band structures of this beam are calculated. Subsequently, the effective material parameters of the beam are investigated by using the energy band structures. Then, the modal analysis and transmission properties of the beams with finite cells are simulated in order to confirm the correctness of effective approximation. The results show that the periodic beam can be equivalent to the homogeneous beam with dynamic effective material parameters in passband.

  10. Complex band structure with ultrasoft pseudopotentials: fcc Ni and Ni nanowire

    NASA Astrophysics Data System (ADS)

    Smogunov, Alexander; Dal Corso, Andrea; Tosatti, Erio

    2003-06-01

    We generalize to magnetic transition metals the approach proposed by Choi and Ihm for calculating the complex band structure of periodic systems, a key ingredient for future calculations of conductivity of an open quantum system within the Landauer-Buttiker theory. The method is implemented with ultrasoft pseudopotentials and plane wave basis set in a DFT-LSDA ab initio scheme. As a first example, we present the complex band structure of bulk fcc Ni (which constitutes the tips of a Ni nanocontact) and monatomic Ni wire (the junction between two tips). Based on our results, we anticipate some features of the spin-dependent conductance in a Ni nanocontact.

  11. Theoretical analysis of a palladium-based one-dimensional metallo-dielectric photonic band gap structure for applications to H2 sensors

    NASA Astrophysics Data System (ADS)

    Vincenti, Maria Antonietta; Trevisi, Simona; De Sario, Marco; Petruzzelli, Vincenzo; D'Orazio, Antonella; Prudenzano, Francesco; Cioffi, Nicola; de Ceglia, Domenico; Scalora, Michael

    2008-03-01

    In this paper we report a numerical study of a palladium-based metallo-dielectric photonic band gap structure for the purpose of detecting H2. In particular, and as an example, we will explore applications to the diagnosis of lactose malabsorption, more commonly known as lactose intolerance condition. This pathology occurs as a result of an incomplete absorption or digestion of different substances, causing an increased spontaneous emission of H2 in human breath. Palladium is considered in order to exploit its well known ability to absorb hydrogen spontaneously. The proposed structure is particularly able to detect the lactose malabsorption level of the patient with relatively high sensitivity and rapidity.

  12. Band gap formation in La0.7Sr0.3MnO3 (LSMO) thin films measured by reflectivity/absorption and ultrafast spectroscopy

    NASA Astrophysics Data System (ADS)

    Cabrera, Guerau; Trappen, Robbyn; Chu, Ying-Hao; Holcomb, Mikel

    Thin film La0.7Sr0.3MnO3 (LSMO) is a prime candidate for highly spin-polarized magnetic-tunnel-junction memories. Due to its magnetic properties, it is also a good candidate for applications utilizing electrical control of magnetism when grown adjacent to a ferroelectric layer such as Pb(Zr/Ti)O3 (PZT). Recently, Wu and others have seen the emergence of a band gap (about 1eV) in LSMO thin films, when grown adjacent to PZT. Currently, it is understood that LSMO is a half-metal, with a pseudo-gap due to a low desity of states (DOS) near the Fermi level. The transition from pseudo-gap to band gap is not yet fully understood. It is therefore our aim to investigate the formation of this band gap through optical reflectivity/absorption and ultrafast carrier dynamics for a variety of thicknesses ranging from a few nanometers to thicker films (about 100 nm).

  13. Dependence of the band structure of C-60 monolayers on molecularorientations and doping observed by angle resolved photoemission

    SciTech Connect

    Brouet, V.; Yang, W.L.; Zhou, X.J.; Hussain, Z.; Shen, Z.X.

    2008-01-17

    We present angle resolved photoemission studies of C60monolayers deposited on Ag surfaces. The electronic structure of thesemonolayers is derived from the partial filling of the narrow, 6-folddegenerated, C60 conduction band. By comparing the band structure in twomonolayers deposited, respectively, on Ag(111) and Ag(100), we show thatthe molecular degree of freedom, in this case the relative orientationsbetween C60 molecules, is essential to describe the band structure. Wefurther show that the evolution of the band as a function of doping doesnot follow a rigid band-filling picture. Phase separation is observedbetween a metallic and an insulating phase, which might be a result ofstrong correlations.

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

    NASA Astrophysics Data System (ADS)

    Mayer, Marie Annette

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

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

    NASA Astrophysics Data System (ADS)

    Mayer, Marie Annette

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

  16. Understanding the electronic band structure of Pt-alloys for surface reactivity

    NASA Astrophysics Data System (ADS)

    Jung, Jongkeun; Kim, Beomyoung; Hong, Ji Sook; Jin, Tae Won; Shim, Ji Hoon; Nemsak, Slavomir; Denlinger, Jonathan D.; Masashi, Arita; Kenya, Shimada; Kim, Changyoung; Mun, Bongjin Simon

    In polymer exchange membrane fuel cell (PEMFC), the oxygen reduction reaction (ORR) at cathode side has been continuously investigated due to its critical importance in performance of fuel cell. So far, even with best industrial catalyst made with Pt, the performance of ORR is too far below from the commercial purpose. In 2007, Stamenkovic et al. showed that Pt alloys with 3- dtransition metal exhibited significantly improved ORR performance and pointed out the altered electronic structure of surface as the major contributing factor for enhanced ORR. Since 1990, with the advance of DFT calculation, the trend of surface chemical reactivity is explained with the analysis of d-band structures, known as d-band model. While d-band provides valid insight on surface chemical reactivity based on the valence band DOS, the relation between surface work function and DOS has not been well understood. The element-specific local electronic band structure of Pt alloys are identified by ARPES measurement, and the correlation between surface work function and local charge density is investigated.

  17. Band structure engineering and thermoelectric properties of charge-compensated filled skutterudites

    DOE PAGESBeta

    Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R.; Zhang, Cheng; Villaire, William L.; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

    2015-10-12

    Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content,more » we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively.« less

  18. High binding energy band structure of Bi-2212 as measured by ARPES

    NASA Astrophysics Data System (ADS)

    McElroy, K.; Graf, J.; Gweon, G.-H.; Zhou, S. Y.; Sahrakorpi, S.; Lindroos, M.; Markiewicz, R. S.; Bansil, A.; Eisaki, H.; Sasagawa, T.; Takagi, H.; Uchida, S.; Lanzara, A.

    2006-03-01

    The study of the electronic structure of high temperature superconductors by angle resolved photoemission spectroscopy (ARPES) has so far focused on the states near the Fermi level, believed to be fundamental for most of the properties of cuprates. However, it is well known that in doped Mott insulators the low and high energy physics are strongly coupled one to the other. Therefore, to gain insight on the real physics of cuprates a full characterization of the electronic band structure up to energies of the order of the lower Hubbard band and beyond is needed. Here we report a detailed, doping dependent study of the band structure of Bi2212 superconductors at energies of the order of 1-2 eV. The experimental results are interpreted in terms of local density approximation (LDA) based computations, where the presence of the ``spaghetti'' of Cu-O and O-bands is predicted. Comparison between computed and measured bands provides insight into many-body renormalization effects.

  19. Band structure engineering and thermoelectric properties of charge-compensated filled skutterudites

    SciTech Connect

    Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R.; Zhang, Cheng; Villaire, William L.; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

    2015-10-12

    Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content, we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively.

  20. Band Structure Engineering and Thermoelectric Properties of Charge-Compensated Filled Skutterudites

    PubMed Central

    Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R.; Zhang, Cheng; Villaire, William L.; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

    2015-01-01

    Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content, we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively. PMID:26456013

  1. Band Structure Engineering and Thermoelectric Properties of Charge-Compensated Filled Skutterudites.

    PubMed

    Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R; Zhang, Cheng; Villaire, William L; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

    2015-01-01

    Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content, we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively. PMID:26456013

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

    PubMed

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

    2016-04-27

    Exploring surface-exposed highly active crystal facets for photocatalytic oxidations is promising in utilizing monoclinic WO3 semiconductor. However, the previously reported highly active facets for monoclinic WO3 were mainly toward enhancing photocatalytic reductions. Here we report that the WO3 with {100} facet orientation and tuned surface electronic band structure can effectively enhance photocatalytic oxidation properties. The {100} faceted WO3 single crystals are synthesized via a facile hydrothermal method. The UV-visible diffuse reflectance, X-ray photoelectron spectroscopy valence band spectra, and photoelectrochemical measurements suggest that the {100} faceted WO3 has a much higher energy level of valence band maximum compared with the normal WO3 crystals without preferred orientation of the crystal face. The density functional theory calculations reveal that the shift of O 2p and W 5d states in {100} face induce a unique band structure. In comparison with the normal WO3, the {100} faceted WO3 exhibits an O2 evolution rate about 5.1 times in water splitting, and also shows an acetone evolution rate of 4.2 times as well as CO2 evolution rate of 3.8 times in gaseous degradation of 2-propanol. This study demonstrates an efficient crystal face engineering route to tune the surface electronic band structure for enhanced photocatalytic oxidations. PMID:27045790

  3. Band stop vibration suppression using a passive X-shape structured lever-type isolation system

    NASA Astrophysics Data System (ADS)

    Liu, Chunchuan; Jing, Xingjian; Chen, Zhaobo

    2016-02-01

    In the paper, band-stop vibration suppression property using a novel X-shape structured lever-type isolation system is studied. The geometrical nonlinear property of an X-shape supporting structure is used to improve the band-stop characteristics in the low frequency range of the lever-type vibration isolator. With the dynamics modeling of this hybrid structural system, it is shown that the proposed hybrid vibration system has very beneficial nonlinear stiffness and damping properties which are helpful to achieve much wider stop bandwidth. Theoretical results demonstrate that the anti-resonant frequencies, width and magnitude of the stop band can all be flexibly designed with structural parameters, and the parameters of the X-shape supporting structure are very critical for designing the band-stop frequency to achieve excellent low-frequency isolation performance. The results in the study provide a new approach to the design of the passive vibration suppression system in the low frequency region.

  4. Efficient tissue ablation using a laser tunable in the water absorption band at 3 microns with little collateral damage

    NASA Astrophysics Data System (ADS)

    Nierlich, Alexandra; Chuchumishev, Danail; Nagel, Elizabeth; Marinova, Kristiana; Philipov, Stanislav; Fiebig, Torsten; Buchvarov, Ivan; Richter, Claus-Peter

    2014-03-01

    Lasers can significantly advance medical diagnostics and treatment. At high power, they are typically used as cutting tools during surgery. For lasers that are used as knifes, radiation wavelengths in the far ultraviolet and in the near infrared spectral regions are favored because tissue has high contents of collagen and water. Collagen has an absorption peak around 190 nm, while water is in the near infrared around 3,000 nm. Changing the wavelength across the absorption peak will result in significant differences in laser tissue interactions. Tunable lasers in the infrared that could optimize the laser tissue interaction for ablation and/or coagulation are not available until now besides the Free Electron Laser (FEL). Here we demonstrate efficient tissue ablation using a table-top mid-IR laser tunable between 3,000 to 3,500 nm. A detailed study of the ablation has been conducted in different tissues. Little collateral thermal damage has been found at a distance above 10-20 microns from the ablated surface. Furthermore, little mechanical damage could be seen in conventional histology and by examination of birefringent activity of the samples using a pair of cross polarizing filters.

  5. Complete multipactor suppression in an X-band dielectric-loaded accelerating structure

    NASA Astrophysics Data System (ADS)

    Jing, C.; Gold, S. H.; Fischer, Richard; Gai, W.

    2016-05-01

    Multipactor is a major issue limiting the gradient of rf-driven Dielectric-Loaded Accelerating (DLA) structures. Theoretical models have predicted that an axial magnetic field applied to DLA structures may completely block the multipactor discharge. However, previous attempts to demonstrate this magnetic field effect in an X-band traveling-wave DLA structure were inconclusive, due to the axial variation of the applied magnetic field, and showed only partial suppression of the multipactor loading [Jing et al., Appl. Phys. Lett. 103, 213503 (2013)]. The present experiment has been performed under improved conditions with a uniform axial magnetic field extending along the length of an X-band standing-wave DLA structure. Multipactor loading began to be continuously reduced starting from 3.5 kG applied magnetic field and was completely suppressed at ˜8 kG. Dependence of multipactor suppression on the rf gradient inside the DLA structure was also measured.

  6. Band gap structures in two-dimensional super porous phononic crystals.

    PubMed

    Liu, Ying; Sun, Xiu-zhan; Chen, Shao-ting

    2013-02-01

    As one kind of new linear cellular alloys (LCAs), Kagome honeycombs, which are constituted by triangular and hexagonal cells, attract great attention due to the excellent performance compared to the ordinary ones. Instead of mechanical investigation, the in-plane elastic wave dispersion in Kagome structures are analyzed in this paper aiming to the multi-functional application of the materials. Firstly, the band structures in the common two-dimensional (2D) porous phononic structures (triangular or hexagonal honeycombs) are discussed. Then, based on these results, the wave dispersion in Kagome honeycombs is given. Through the component cell porosity controlling, the effects of component cells on the whole responses of the structures are investigated. The intrinsic relation between the component cell porosity and the critical porosity of Kagome honeycombs is established. These results will provide an important guidance in the band structure design of super porous phononic crystals. PMID:23089223

  7. The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

    SciTech Connect

    Kevin Jerome Sutherland

    2001-05-01

    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-electronic 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.

  8. Full-potential theoretical investigations of electron inelastic mean free paths and extended x-ray absorption fine structure in molybdenum.

    PubMed

    Chantler, C T; Bourke, J D

    2014-04-01

    X-ray absorption fine structure (XAFS) spectroscopy is one of the most robust, adaptable, and widely used structural analysis tools available for a range of material classes from bulk solids to aqueous solutions and active catalytic structures. Recent developments in XAFS theory have enabled high-accuracy calculations of spectra over an extended energy range using full-potential cluster modelling, and have demonstrated particular sensitivity in XAFS to a fundamental electron transport property-the electron inelastic mean free path (IMFP). We develop electron IMFP theory using a unique hybrid model that simultaneously incorporates second-order excitation losses, while precisely accounting for optical transitions dictated by the complex band structure of the solid. These advances are coupled with improved XAFS modelling to determine wide energy-range absorption spectra for molybdenum. This represents a critical test case of the theory, as measurements of molybdenum K-edge XAFS represent the most accurate determinations of XAFS spectra for any material. We find that we are able to reproduce an extended range of oscillatory structure in the absorption spectrum, and demonstrate a first-time theoretical determination of the absorption coefficient of molybdenum over the entire extended XAFS range utilizing a full-potential cluster model. PMID:24651638

  9. Damping Effect Studies for X-band Normal Conducting High Gradient Standing Wave Structures

    SciTech Connect

    Pei, S.; Li, Z.; Tantawi, S.G.; Dolgashev, V.A.; Wang, J.; /SLAC

    2009-08-03

    The Multi-TeV colliders should have the capability to accelerate low emittance beam with high rf efficiency, X-band normal conducting high gradient accelerating structure is one of the promising candidate. However, the long range transverse wake field which can cause beam emittance dilution is one of the critical issues. We examined effectiveness of dipole mode damping in three kinds of X-band, {pi}-mode standing wave structures at 11.424GHz with no detuning considered. They represent three damping schemes: damping with cylindrical iris slot, damping with choke cavity and damping with waveguide coupler. We try to reduce external Q factor below 20 in the first two dipole bands, which usually have very high (R{sub T}/Q){sub T}. The effect of damping on the acceleration mode is also discussed.

  10. Mini-Dirac cones in the band structure of a copper intercalated epitaxial graphene superlattice

    NASA Astrophysics Data System (ADS)

    Forti, S.; Stöhr, A.; Zakharov, A. A.; Coletti, C.; Emtsev, K. V.; Starke, U.

    2016-09-01

    The electronic band structure of an epitaxial graphene superlattice, generated by intercalating a monolayer of Cu atoms, is directly imaged by angle-resolved photoelectron spectroscopy. The 3.2 nm lateral period of the superlattice is induced by a varying registry between the graphene honeycomb and the Cu atoms as imposed by the heteroepitaxial interface Cu/SiC. The carbon atoms experience a lateral potential across the supercell of an estimated value of about 65 meV. The potential leads to strong energy renormalization in the band structure of the graphene layer and the emergence of mini-Dirac cones. The mini-cones’ band velocity is reduced to about half of graphene's Fermi velocity. Notably, the ordering of the interfacial Cu atoms can be reversibly blocked by mild annealing. The superlattice indeed disappears at ∼220 °C.

  11. Photoelectron spectroscopic study of band alignment of polymer/ZnO photovoltaic device structure

    SciTech Connect

    Nagata, T.; Chikyow, T.; Oh, S.; Wakayama, Y.; Yamashita, Y.; Yoshikawa, H.; Kobayashi, K.; Ikeno, N.

    2013-01-28

    Using x-ray photoelectron spectroscopy, we investigated the band alignment of a Ag/poly(3-hexylthiophene-2,5-diyl) (P3HT)/ZnO photovoltaic structure. At the P3HT/ZnO interface, a band bending of P3HT and a short surface depletion layer of ZnO were observed. The offset between the highest occupied molecular orbital of P3HT and the conduction band minimum of ZnO at the interface contributed to the open circuit voltage (Voc) was estimated to be approximately 1.5 {+-} 0.1 eV, which was bigger than that of the electrically measured effective Voc of P3HT/ZnO photovoltaic devices, meaning that the P3HT/ZnO photovoltaic structure has the potential to provide improved photovoltaic properties.

  12. Fully opposite spin polarization of electron and hole bands in DyN and related band structures of GdN and HoN

    NASA Astrophysics Data System (ADS)

    Cheiwchanchamnangij, Tawinan; Lambrecht, Walter R. L.

    2015-07-01

    Using quasiparticle self-consistent G W calculations, we show that DyN has an unusual nearly zero indirect gap semimetallic band structure in which the states near the valence band maximum are fully minority spin polarized at Γ while the states near the conduction band minimum (at X ) have fully majority spin character. This arises due to a strong hybridization of one of the minority spin f states of dysprosium with the N-2 p bands. The reason why only one of the f bands hybridizes is explained using symmetry arguments. We show that in HoN, this hybridization is already strongly reduced because of the deeper Ho-4 f minority spin states.

  13. Electronic structure descriptor for the discovery of narrow-band red-emitting phosphors

    DOE PAGESBeta

    Wang, Zhenbin; Chu, Iek -Heng; Zhou, Fei; Ong, Shyue Ping

    2016-05-09

    Narrow-band red-emitting phosphors are a critical component of phosphor-converted light-emitting diodes for highly efficient illumination-grade lighting. In this work, we report the discovery of a quantitative descriptor for narrow-band Eu2+-activated emission identified through a comparison of the electronic structures of known narrow-band and broad-band phosphors. We find that a narrow emission bandwidth is characterized by a large splitting of more than 0.1 eV between the two highest Eu2+ 4f7 bands. By incorporating this descriptor in a high-throughput first-principles screening of 2259 nitride compounds, we identify five promising new nitride hosts for Eu2+-activated red-emitting phosphors that are predicted to exhibit goodmore » chemical stability, thermal quenching resistance, and quantum efficiency, as well as narrow-band emission. Lastly, our findings provide important insights into the emission characteristics of rare-earth activators in phosphor hosts and a general strategy to the discovery of phosphors with a desired emission peak and bandwidth.« less

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

    NASA Astrophysics Data System (ADS)

    Kishi, Ayaka; Oda, Masato; Shinozuka, Yuzo

    2016-05-01

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

  15. Structure and Evolution of Convection Band Occurred over the Korean Peninsula

    NASA Astrophysics Data System (ADS)

    Kim, W.; Lee, T.

    2011-12-01

    A significant portion of the annual precipitation on the Korean peninsula is produced by heavy precipitation systems (HPSs) during summer. HPSs over the Korean peninsula could be classified into four major types (convection bands, cloud clusters, isolated thunderstorms, and squall lines) by phenomenological analysis. Among four major types of HPSs, convection bands (CBs) tend to concentrate a large amount of rainfall over limited area due to their quasi-stationary behavior for several hours. Convective cells embedded in CB move along the band and new cells are continuously formed in the upstream of the band. In this study, the structure and evolution of CB have been investigated using NCEP Climate Forecast System Reanalysis (CFSR) data and Weather Research and Forecasting (WRF) model. Thirty CB cases occurred during 2000-2010 were selected to conduct composite analysis. We obtained several profiles which represent northern area (NA), southern area (SA), and upstream area (UA) of CB by composite analysis. Modest band-perpendicular wind component (5 m s-1) is found in the level of 925-1000 hPa in SA, while band-perpendicular wind component of NA is nearly zero. Additionally, equivalent potential temperature in the lower-troposphere of SA is about 10 K larger than that of NA. Low-level band-perpendicular wind component of SA seems to play an important role in the development of CB by providing the environment for large-scale convergence and transporting warm and moist air from southern area of CB. Band-parallel wind component is predominant in the middle- and lower-troposphere. On the basis of the results of composite analysis, ideal simulation for the evolution of CB was set up. The analysis for the evolution of CB is in progress.

  16. The VLBI structure of radio-loud Broad Absorption Line quasars

    NASA Astrophysics Data System (ADS)

    Liu, Y.; Jiang, D. R.; Gu, M.

    2016-02-01

    The nature and origin of Broad Absorption Line (BAL) quasars and their relationship to non-BAL quasars are an open question. The BAL quasars are probably normal quasars seen along a particular line of sight. Alternatively, they are young or recently refueled. The high resolution radio morphology of BAL quasars is very important to understand the radio properties of BAL quasars. We present VLBA observations at L and C bands for a sample of BAL quasars. The observations will help us to explore the VLBI radio properties, and distinguish the present models of explaining BAL phenomena.

  17. Three-Dimensional Structure of Vertebrate Muscle Z-Band: The Small-Square Lattice Z-Band in Rat Cardiac Muscle

    PubMed Central

    Burgoyne, Thomas; Morris, Edward P.; Luther, Pradeep K.

    2015-01-01

    The Z-band in vertebrate striated muscle crosslinks actin filaments of opposite polarity from adjoining sarcomeres and transmits tension along myofibrils during muscular contraction. It is also the location of a number of proteins involved in signalling and myofibrillogenesis; mutations in these proteins lead to myopathies. Understanding the high-resolution structure of the Z-band will help us understand its role in muscle contraction and the role of these proteins in the function of muscle. The appearance of the Z-band in transverse-section electron micrographs typically resembles a small-square lattice or a basketweave appearance. In longitudinal sections, the Z-band width varies more with muscle type than species: slow skeletal and cardiac muscles have wider Z-bands than fast skeletal muscles. As the Z-band is periodic, Fourier methods have previously been used for three-dimensional structural analysis. To cope with variations in the periodic structure of the Z-band, we have used subtomogram averaging of tomograms of rat cardiac muscle in which subtomograms are extracted and compared and similar ones are averaged. We show that the Z-band comprises four to six layers of links, presumably α-actinin, linking antiparallel overlapping ends of the actin filaments from the adjoining sarcomeres. The reconstruction shows that the terminal 5–7 nm of the actin filaments within the Z-band is devoid of any α-actinin links and is likely to be the location of capping protein CapZ. PMID:26362007

  18. Three-Dimensional Structure of Vertebrate Muscle Z-Band: The Small-Square Lattice Z-Band in Rat Cardiac Muscle.

    PubMed

    Burgoyne, Thomas; Morris, Edward P; Luther, Pradeep K

    2015-11-01

    The Z-band in vertebrate striated muscle crosslinks actin filaments of opposite polarity from adjoining sarcomeres and transmits tension along myofibrils during muscular contraction. It is also the location of a number of proteins involved in signalling and myofibrillogenesis; mutations in these proteins lead to myopathies. Understanding the high-resolution structure of the Z-band will help us understand its role in muscle contraction and the role of these proteins in the function of muscle. The appearance of the Z-band in transverse-section electron micrographs typically resembles a small-square lattice or a basketweave appearance. In longitudinal sections, the Z-band width varies more with muscle type than species: slow skeletal and cardiac muscles have wider Z-bands than fast skeletal muscles. As the Z-band is periodic, Fourier methods have previously been used for three-dimensional structural analysis. To cope with variations in the periodic structure of the Z-band, we have used subtomogram averaging of tomograms of rat cardiac muscle in which subtomograms are extracted and compared and similar ones are averaged. We show that the Z-band comprises four to six layers of links, presumably α-actinin, linking antiparallel overlapping ends of the actin filaments from the adjoining sarcomeres. The reconstruction shows that the terminal 5-7nm of the actin filaments within the Z-band is devoid of any α-actinin links and is likely to be the location of capping protein CapZ. PMID:26362007

  19. k.p Parameters with Accuracy Control from Preexistent First-Principles Band Structure Calculations

    NASA Astrophysics Data System (ADS)

    Sipahi, Guilherme; Bastos, Carlos M. O.; Sabino, Fernando P.; Faria Junior, Paulo E.; de Campos, Tiago; da Silva, Juarez L. F.

    The k.p method is a successful approach to obtain band structure, optical and transport properties of semiconductors. It overtakes the ab initio methods in confined systems due to its low computational cost since it is a continuum method that does not require all the atoms' orbital information. From an effective one-electron Hamiltonian, the k.p matrix representation can be calculated using perturbation theory and the parameters identified by symmetry arguments. The parameters determination, however, needs a complementary approach. In this paper, we developed a general method to extract the k.p parameters from preexistent band structures of bulk materials that is not limited by the crystal symmetry or by the model. To demonstrate our approach, we applied it to zinc blende GaAs band structure calculated by hybrid density functional theory within the Heyd-Scuseria-Ernzerhof functional (DFT-HSE), for the usual 8 ×8 k.p Hamiltonian. Our parameters reproduced the DFT-HSE band structure with great accuracy up to 20% of the first Brillouin zone (FBZ). Furthermore, for fitting regions ranging from 7-20% of FBZ, the parameters lie inside the range of values reported by the most reliable studies in the literature. The authors acknowledge financial support from the Brazilian agencies CNPq (Grant #246549/2012-2) and FAPESP (Grants #2011/19333-4, #2012/05618-0 and #2013/23393-8).

  20. Impact of the valence band structure of Cu2O on excitonic spectra

    NASA Astrophysics Data System (ADS)

    Schweiner, Frank; Main, Jörg; Feldmaier, Matthias; Wunner, Günter; Uihlein, Christoph

    2016-05-01

    We present a method to calculate the excitonic spectra of all direct semiconductors with a complex valence band structure. The Schrödinger equation is solved using a complete basis set with Coulomb-Sturmian functions. This method also allows for the computation of oscillator strengths. Here we apply this method to investigate the impact of the valence band structure of cuprous oxide (Cu2O ) on the yellow exciton spectrum. Results differ from those of J. Thewes et al. [Phys. Rev. Lett. 115, 027402 (2015), 10.1103/PhysRevLett.115.027402]; the differences are discussed and explained. The difference between the second and third Luttinger parameter can be determined by comparisons with experiments; however, the evaluation of all three Luttinger parameters is not uniquely possible. Our results are consistent with band structure calculations. Considering also a finite momentum ℏ K of the center of mass, we show that the large K -dependent line splitting observed for the 1 S exciton state by G. Dasbach et al. [Phys. Rev. Lett. 91, 107401 (2003), 10.1103/PhysRevLett.91.107401] is not related to an exchange interaction but rather to the complex valence band structure of Cu2O .

  1. Band structure analysis of an analytically solvable Hill equation with continuous potential

    NASA Astrophysics Data System (ADS)

    Morozov, G. V.; Sprung, D. W. L.

    2015-03-01

    This paper concerns analytically solvable cases of Hill’s equation containing a continuously differentiable periodic potential. We outline a procedure for constructing the Floquet-Bloch fundamental system, and analyze the band structure of the system. The similarities to, and differences from, the cases of a piecewise constant periodic potential and the Mathieu potential, are illuminated.

  2. Doping and strain dependence of the electronic band structure in Ge and GeSn alloys

    NASA Astrophysics Data System (ADS)

    Xu, Chi; Gallagher, James; Senaratne, Charutha; Brown, Christopher; Fernando, Nalin; Zollner, Stefan; Kouvetakis, John; Menendez, Jose

    2015-03-01

    A systematic study of the effect of dopants and strain on the electronic structure of Ge and GeSn alloys is presented. Samples were grown by UHV-CVD on Ge-buffered Si using Ge3H8 and SnD4 as the sources of Ge and Sn, and B2H6/P(GeH3)3 as dopants. High-energy critical points in the joint-density of electronic states were studied using spectroscopic ellipsometry, which yields detailed information on the strain and doping dependence of the so-called E1, E1 +Δ1 , E0' and E2 transitions. The corresponding dependencies of the lowest direct band gap E0 and the fundamental indirect band gap Eindwere studied via room-T photoluminescence spectroscopy. Of particular interest for this work were the determination of deformation potentials, band gap renormalization effects, Burstein-Moss shifts due to the presence of carriers at band minima, and the dependence of other critical point parameters, such as amplitudes and phase angles, on the doping concentration. The selective blocking of transitions due to high doping makes it possible to investigate the precise k-space location of critical points. These studies are complemented with detailed band-structure calculations within a full-zone k-dot- p approach. Supported by AFOSR under DOD AFOSR FA9550-12-1-0208 and DOD AFOSR FA9550-13-1-0022.

  3. Valley-dependent band structure and valley polarization in periodically modulated graphene

    NASA Astrophysics Data System (ADS)

    Lu, Wei-Tao

    2016-08-01

    The valley-dependent energy band and transport property of graphene under a periodic magnetic-strained field are studied, where the time-reversal symmetry is broken and the valley degeneracy is lifted. The considered superlattice is composed of two different barriers, providing more degrees of freedom for engineering the electronic structure. The electrons near the K and K' valleys are dominated by different effective superlattices. It is found that the energy bands for both valleys are symmetric with respect to ky=-(AM+ξ AS) /4 under the symmetric superlattices. More finite-energy Dirac points, more prominent collimation behavior, and new crossing points are found for K' valley. The degenerate miniband near the K valley splits into two subminibands and produces a new band gap under the asymmetric superlattices. The velocity for the K' valley is greatly renormalized compared with the K valley, and so we can achieve a finite velocity for the K valley while the velocity for the K' valley is zero. Especially, the miniband and band gap could be manipulated independently, leading to an increase of the conductance. The characteristics of the band structure are reflected in the transmission spectra. The Dirac points and the crossing points appear as pronounced peaks in transmission. A remarkable valley polarization is obtained which is robust to the disorder and can be controlled by the strain, the period, and the voltage.

  4. Design of UWB monopole antenna with dual notched bands using one modified electromagnetic-bandgap structure.

    PubMed

    Liu, Hao; Xu, Ziqiang

    2013-01-01

    A modified electromagnetic-bandgap (M-EBG) structure and its application to planar monopole ultra-wideband (UWB) antenna are presented. The proposed M-EBG which comprises two strip patch and an edge-located via can perform dual notched bands. By properly designing and placing strip patch near the feedline, the proposed M-EBG not only possesses a simple structure and compact size but also exhibits good band rejection. Moreover, it is easy to tune the dual notched bands by altering the dimensions of the M-EBG. A demonstration antenna with dual band-notched characteristics is designed and fabricated to validate the proposed method. The results show that the proposed antenna can satisfy the requirements of VSWR < 2 over UWB 3.1-10.6 GHz, except for the rejected bands of the world interoperability for microwave access (WiMAX) and the wireless local area network (WLAN) at 3.5 GHz and 5.5 GHz, respectively. PMID:24170984

  5. Design of UWB Monopole Antenna with Dual Notched Bands Using One Modified Electromagnetic-Bandgap Structure

    PubMed Central

    Xu, Ziqiang

    2013-01-01

    A modified electromagnetic-bandgap (M-EBG) structure and its application to planar monopole ultra-wideband (UWB) antenna are presented. The proposed M-EBG which comprises two strip patch and an edge-located via can perform dual notched bands. By properly designing and placing strip patch near the feedline, the proposed M-EBG not only possesses a simple structure and compact size but also exhibits good band rejection. Moreover, it is easy to tune the dual notched bands by altering the dimensions of the M-EBG. A demonstration antenna with dual band-notched characteristics is designed and fabricated to validate the proposed method. The results show that the proposed antenna can satisfy the requirements of VSWR < 2 over UWB 3.1–10.6 GHz, except for the rejected bands of the world interoperability for microwave access (WiMAX) and the wireless local area network (WLAN) at 3.5 GHz and 5.5 GHz, respectively. PMID:24170984

  6. Tuning the band structures of single walled silicon carbide nanotubes with uniaxial strain: a first principles study

    SciTech Connect

    Wang, Zhiguo; Zu, Xiaotao T.; Xiao, H. Y.; Gao, Fei; Weber, William J.

    2008-05-09

    Electronic band structures of single-walled silicon carbide nanotubes are studied under uniaxial strain using first principles calculations. The band structure can be tuned by mechanical strain in a wide energy range. The band gap decreases with uniaxial tensile strain, but initially increases with uniaxial compressive strain and then decreases with further increases in compressive strain. These results may provide a way to tune the electronic structures of silicon carbide nanotubes, which may have promising applications in building nanodevices.

  7. Effects of strain on the band structure of group-III nitrides

    NASA Astrophysics Data System (ADS)

    Yan, Qimin; Rinke, Patrick; Janotti, Anderson; Scheffler, Matthias; Van de Walle, Chris G.

    2014-09-01

    We present a systematic study of strain effects on the electronic band structure of the group-III-nitrides (AlN, GaN and InN) in the wurtzite phase. The calculations are based on density functional theory with band-gap-corrected approaches including the Heyd-Scuseria-Ernzerhof hybrid functional (HSE) and quasiparticle G0W0 methods. We study strain effects under realistic strain conditions, hydrostatic pressure, and biaxial stress. The strain-induced modification of the band structures is found to be nonlinear; transition energies and crystal-field splittings show a strong nonlinear behavior under biaxial stress. For the linear regime around the experimental lattice parameters, we present a complete set of deformation potentials (acz, act, D1, D2, D3, D4, D5, D6) that allows us to predict the band positions of group-III nitrides and their alloys (InGaN and AlGaN) under realistic strain conditions. The benchmarking G0W0 results for GaN agree well with the HSE data and indicate that HSE provides an appropriate description for the band structures of nitrides. We present a systematic study of strain effects on the electronic band structure of the group-III nitrides (AlN, GaN, and InN). We quantify the nonlinearity of strain effects by introducing a set of bowing parameters. We apply the calculated deformation potentials to the prediction of strain effects on transition energies and valence-band structures of InGaN alloys and quantum wells (QWs) grown on GaN, in various orientations (including c-plane, m-plane, and semipolar). The calculated band gap bowing parameters, including the strain effect for c-plane InGaN, agree well with the results obtained by hybrid functional alloy calculations. For semipolar InGaN QWs grown in (202¯1), (303¯1), and (303¯1¯) orientations, our calculated deformation potentials have provided results for polarization ratios in good agreement with the experimental observations, providing further confidence in the accuracy of our values.

  8. Infrared detectors and lasers operating in the 3-12 μm range using band-gap engineered structures with type II band-gap alignment

    NASA Astrophysics Data System (ADS)

    Swaminathan, Venkataraman; Little, John W.; Tober, Richard L.

    2006-02-01

    The Type II broken band-gap alignment in semiconductor structures wherein the conduction band minimum is in one semiconductor (e.g., InAs) and the valence band maximum is in another (e.g., GaInSb) offers certain unique advantages which can be utilized to realize band-gap engineered novel quantum electro-optic devices such as lasers and detectors. The advantages of the type II structures include reduced Auger recombination, extending the effective band-gap energy of materials wherein type I band-gap alignment would give rise to difficulties such as miscibility gap. In this paper we describe the work carried out at the Army Research Laboratory on type II semiconductor quantum electro-optic devices such as IR lasers and detectors operating in the 3-12 μm range. Specifically we will cover the progress made in GaSb based type II strained layer superlattice IR detectors and Interband Cascade IR Lasers. We will also present our recent work in self-assembled quantum dots which have type II band-gap alignment with the matrix material in which the dots are embedded.

  9. Ferromagnetism and the electronic band structure in (Ga,Mn)(Bi,As) epitaxial layers

    SciTech Connect

    Yastrubchak, O.; Sadowski, J.; Domagala, J. Z.; Andrearczyk, T.; Wosinski, T.

    2014-08-18

    Impact of Bi incorporation into (Ga,Mn)As layers on their electronic- and band-structures as well as their magnetic and structural properties has been studied. Homogenous (Ga,Mn)(Bi,As) layers of high structural perfection have been grown by the low-temperature molecular-beam epitaxy technique. Post-growth annealing treatment of the layers results in an improvement of their structural and magnetic properties and an increase in the hole concentration in the layers. The modulation photoreflectance spectroscopy results are consistent with the valence-band model of hole-mediated ferromagnetism in the layers. This material combines the properties of (Ga,Mn)As and Ga(Bi,As) ternary compounds and offers the possibility of tuning its electrical and magnetic properties by controlling the alloy composition.

  10. Nonlinear optical response of semiconductor-nanocrystals-embedded photonic band gap structure

    SciTech Connect

    Liao, Chen; Zhang, Huichao; Tang, Luping; Zhou, Zhiqiang; Lv, Changgui; Cui, Yiping; Zhang, Jiayu

    2014-04-28

    Colloidal CdSe/ZnS core/shell nanocrystals (NCs), which were dispersed in SiO{sub 2} sol, were utilized to fabricate a SiO{sub 2}:NCs/TiO{sub 2} all-dielectric photonic band gap (PBG) structure. The third-order nonlinear refractive index (n{sub 2}) of the PBG structure was nearly triple of that of the SiO{sub 2}:NCs film due to the local field enhancement in the PBG structure. The photoinduced change in refractive index (Δn) could shift the PBG band edge, so the PBG structure would show significant transmission modification, whose transmission change was ∼17 folds of that of the SiO{sub 2}:NCs film. Under excitation of a 30 GW/cm{sup 2} femtosecond laser beam, a transmission decrease of 80% was realized.

  11. Electronic band structures and photovoltaic properties of MWO{sub 4} (M=Zn, Mg, Ca, Sr) compounds

    SciTech Connect

    Kim, Dong Wook; Cho, In-Sun; Shin, Seong Sik; Lee, Sangwook; Noh, Tae Hoon; Kim, Dong Hoe; Jung, Hyun Suk; Hong, Kug Sun

    2011-08-15

    Divalent metal tungstates, MWO{sub 4}, with wolframite (M=Zn and Mg) and scheelite (M=Ca and Sr) structures were prepared using a conventional solid state reaction method. Their electronic band structures were investigated by a combination of electronic band structure calculations and electrochemical measurements. From these investigations, it was found that the band structures (i.e. band positions and band gaps) of the divalent metal tungstates were significantly influenced by their crystal structural environments, such as the W-O bond length. Their photovoltaic properties were evaluated by applying to the working electrodes for dye-sensitized solar cells. The dye-sensitized solar cells employing the wolframite-structured metal tungstates (ZnWO{sub 4} and MgWO{sub 4}) exhibited better performance than those using the scheelite-structured metal tungstates (CaWO{sub 4} and SrWO{sub 4}), which was attributed to their enhanced electron transfer resulting from their appropriate band positions. - Graphical abstract: The electronic band structures of divalent metal tungstates are described from the combination of experimental results and theoretical calculations, and their electronic structure-dependent photovoltaic performances are also studied. Highlights: > MWO{sub 4} compounds with wolframite (M=Zn and Mg) and scheelite structure (M=Ca and Sr) were prepared. > Their electronic band structures were investigated by the calculations and the measurements. > Their photovoltaic properties were determined by the crystal and electronic structures.

  12. Confinement effect of laser ablation plume in liquids probed by self-absorption of C{sub 2} Swan band emission

    SciTech Connect

    Sakka, Tetsuo; Saito, Kotaro; Ogata, Yukio H.

    2005-01-01

    The (0,0) Swan band of the C{sub 2} molecules in a laser ablation plume produced on the surface of graphite target submerged in water was used as a probe to estimate the density of C{sub 2} molecules in the plume. Observed emission spectra were reproduced excellently by introducing a self-absorption parameter to the theoretical spectral profile expected by a rotational population distribution at a certain temperature. The optical density of the ablation plume as a function of time was determined as a best-fit parameter by the quantitative fitting of the whole spectral profile. The results show high optical densities for the laser ablation plume in water compared with that in air. It is related to the plume confinement or the expansion, which are the important phenomena influencing the characteristics of laser ablation plumes in liquids.

  13. B4N and Fe3BN nitrides bands structure and theoretical determination of bulk modulus

    NASA Astrophysics Data System (ADS)

    dos Santos, A. V.

    2007-06-01

    With the evolution of material science there was some technological evolution as well as the need of finding new links which could be applied to diverse areas of knowledge. Thus, in this article, we study nitrides bands structures which contain boron, in two different stoichiometries Fe3BN and B4N. The choice of these compounds is meant to plan new links and to understand nitrides fundamental state properties facing these new crystalline structures. In order to resolve the compound band structure we used the method of linear Muffin Tin orbital (LMTO), with atomic sphere approximation (ASA). By using this method we obtained the energy of formation as a function of the lattice parameter as one of the results. We find the equilibrium lattice parameter of 6.9755 a.u., for the Fe3BN nitride, and in B4N, we have 6.8589 a.u. We also discuss in this article the charge transference between sites and the influence of pressure on the compound properties, as well as the Bulk modulus that is 239.82 GPa for Fe3BN and 105.48 GPa for B4N. We show the behaviour of the density of states (DOS) of the new band structure found for the proposed crystalline structure Fe3BN, in which the B atom replace the Fe atom in the corner of the structure γ‧- Fe4N.

  14. Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.

    PubMed

    Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V; Dhanya, R; Narayana, Chandrabhas; Peter, Sebastian C

    2016-04-01

    We have demonstrated engineering of the electronic band gap of the hybrid materials based on POMs (polyoxometalates), by controlling its structural complexity through variation in the conditions of synthesis. The pH- and temperature-dependent studies give a clear insight into how these experimental factors affect the overall hybrid structure and its properties. Our structural manipulations have been successful in effectively tuning the optical band gap and electronic band structure of this kind of hybrids, which can find many applications in the field of photovoltaic and semiconducting devices. We have also addressed a common crystallographic disorder observed in Keggin-ion (one type of heteropolyoxometalate [POMs])-based hybrid materials. Through a combination of crystallographic, spectroscopic, and theoretical analysis of four new POM-based hybrids synthesized with tactically varied reaction conditions, we trace the origin and nature of the disorder associated with it and the subtle local structural coordination involved in its core picture. While the crystallography yields a centrosymmetric structure with planar coordination of Si, our analysis with XPS, IR, and Raman spectroscopy reveals a tetrahedral coordination with broken inversion symmetry, corroborated by first-principles calculations. PMID:26986739

  15. Investigation of band structure of {sup 103,105}Rh using microscopic computational technique

    SciTech Connect

    Kumar, Amit; Singh, Suram; Bharti, Arun

    2015-08-28

    The high-spin structure in {sup 61}Cu nucleus is studied in terms of effective two body interaction. In order to take into account the deformed BCS basis, the basis states are expanded in terms of the core eigenfunctions. Yrast band with some other bands havew been obtained and back-bending in moment of inertia has also been calculated and compared with the available experimental data for {sup 61}Cu nucleus. On comparing the available experimental as well as other theoretical data, it is found that the treatment with PSM provides a satisfactory explanation of the available data.

  16. Electromagnetic wave band structure due to surface plasmon resonances in a complex plasma

    NASA Astrophysics Data System (ADS)

    Vladimirov, S. V.; Ishihara, O.

    2016-07-01

    The dielectric properties of complex plasma containing either metal or dielectric spherical inclusions (macroparticles, dust) are investigated. We focus on surface plasmon resonances on the macroparticle surfaces and their effect on electromagnetic wave propagation. It is demonstrated that the presence of surface plasmon oscillations can significantly modify plasma electromagnetic properties by resonances and cutoffs in the effective permittivity. This leads to related branches of electromagnetic waves and to the wave band gaps. The conditions necessary to observe the band-gap structure in laboratory dusty plasma and/or space (cosmic) dusty plasmas are discussed.

  17. Electromagnetic wave band structure due to surface plasmon resonances in a complex plasma.

    PubMed

    Vladimirov, S V; Ishihara, O

    2016-07-01

    The dielectric properties of complex plasma containing either metal or dielectric spherical inclusions (macroparticles, dust) are investigated. We focus on surface plasmon resonances on the macroparticle surfaces and their effect on electromagnetic wave propagation. It is demonstrated that the presence of surface plasmon oscillations can significantly modify plasma electromagnetic properties by resonances and cutoffs in the effective permittivity. This leads to related branches of electromagnetic waves and to the wave band gaps. The conditions necessary to observe the band-gap structure in laboratory dusty plasma and/or space (cosmic) dusty plasmas are discussed. PMID:27575225

  18. Contrasting phytoplankton community structure and associated light absorption characteristics of the western Bay of Bengal

    NASA Astrophysics Data System (ADS)

    Pandi, Sudarsana Rao; Kiran, Rayaprolu; Sarma, Nittala S.; Srikanth, A. S.; Sarma, V. V. S. S.; Krishna, M. S.; Bandyopadhyay, D.; Prasad, V. R.; Acharyya, T.; Reddy, K. G.

    2014-01-01

    Absorption spectra, particulate pigments, and hydrochemical constituents were measured in the western Bay of Bengal (BoB) during July-August 2010 when influence of river discharge is at peak. Chromophoric dissolved organic matter (CDOM) absorption coefficient (aCDOM(440)) displayed a significant inverse linear relationship with salinity in the surface waters implying conservative mixing of marine and terrestrial end members. The northern part of the study area is influenced by discharge from the river Ganga and a dominant terrestrial CDOM signal is seen. The southern part receives discharge from peninsular rivers with corresponding signals of higher CDOM than the linear model would indicate and higher UV-specific absorption coefficient (SUVA) indicating more aged and humified DOM. Lower contribution of CDOM to total non-water absorption and higher phytoplankton biomass (chlorophyll a absorption coefficient, aph(440)) but lower chlorophyll a specific phytoplankton absorption coefficient (a{ph/*}(440)) characterize the northern part, compared to the southern part. Chlorophyll b had a distinct linear relationship with chlorophyll a in the latter. The size index (SI) indicated dominance of microphytoplankton in the northern and nano and picophytoplankton in the southern parts. Chlorophyll a is significantly related to a{ph/*}(440) by an inverse power model in the northern part but by an inverse linear model in the southern part. Our study suggests that knowledge of the phytoplankton community structure is essential to improve chlorophyll a algorithm in the coastal Bay of Bengal.

  19. Microwave absorption in X and Ku band frequency of cotton fabric coated with Ni-Zn ferrite and carbon formulation in polyurethane matrix

    NASA Astrophysics Data System (ADS)

    Gupta, K. K.; Abbas, S. M.; Goswami, T. H.; Abhyankar, A. C.

    2014-08-01

    The present study highlights various microwave properties, i.e. reflection, transmission, absorption and reflection loss, of the coated cotton fabric [formulation: Ni-Zn ferrite (Ni 0.5Zn0.5Fe2O4) and carbon black (acetylene black) at concentrations of 30, 40, 50, 60 and70 g of ferrite and 5 g carbon in each 100 ml polyurethane] evaluated at 8-18 GHz frequency. The uniform density of filling materials in coated fabrics (dotted marks in SEM micrograph) indicates homogeneous dispersion of conducting fillers in polyurethane and the density of filling material cluster increases with increase in ferrite concentration. SEM images also show uniform coating of conducting fillers/resin system over individual fibers and interweave spaces. The important parameters governing the microwave properties of coated fabrics i.e. permittivity and permeability, S-parameters, reflection loss, etc. were studied in a HVS free space microwave measurement system. The lossy character of coated fabric is found to increase with increase of ferrite content; the ferrite content decreases the impedance and increases the permittivity and permeability values. The 1.6-1.8 mm thick coated fabric sample (40 wt% ferrite, 3 wt% carbon and 57 wt% PU) has shown about 40% absorption, 20% transmission and 40% reflectance in X (8.2-12.4 GHz) and Ku (12-18 GHz) frequency bands. The reflection loss at 13.5 GHz has shown the highest peak value (22.5 dB) due to coated sample optical thickness equal to λ/4 and more than 7.5 dB in entire Ku band. Owing to its thin and flexible nature, the coated fabric can be used as apparel in protecting human being from hazardous microwaves and also as radar camouflage covering screen in defense.

  20. Metal-induced gap states in ferroelectric capacitors and its relationship with complex band structures

    NASA Astrophysics Data System (ADS)

    Junquera, Javier; Aguado-Puente, Pablo

    2013-03-01

    At metal-isulator interfaces, the metallic wave functions with an energy eigenvalue within the band gap decay exponentially inside the dielectric (metal-induced gap states, MIGS). These MIGS can be actually regarded as Bloch functions with an associated complex wave vector. Usually only real values of the wave vectors are discussed in text books, since infinite periodicity is assumed and, in that situation, wave functions growing exponentially in any direction would not be physically valid. However, localized wave functions with an exponential decay are indeed perfectly valid solution of the Schrodinger equation in the presence of defects, surfaces or interfaces. For this reason, properties of MIGS have been typically discussed in terms of the complex band structure of bulk materials. The probable dependence on the interface particulars has been rarely taken into account explicitly due to the difficulties to include them into the model or simulations. We aim to characterize from first-principles simulations the MIGS in realistic ferroelectric capacitors and their connection with the complex band structure of the ferroelectric material. We emphasize the influence of the real interface beyond the complex band structure of bulk materials. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes''. Computer resources provided by the RES.