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Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys
(Elsevier Inc., 2012-02)
The structural and electronic properties of cubic GaAs 1-xBi x alloys with bismuth concentration 0.0, 0.25, 0.50, 0.75 and 1.0 are studied using the 'special quasi-random structures' (SQS) approach of Zunger along with the ...
Electronic structure and magneto-optic Kerr effect in ferromagnetic titanium oxyphosphates Li 0.50Co 0.25TiO(PO4): An ab-initio study
(Elsevier Ltd., 2012-06)
The X-ray diffraction for Li 0.50Co 0.25TiO(PO 4), was used as a starting point to perform structural optimization by minimizing the forces acting on the atoms. We have performed a comprehensive theoretical study of ...
Amino acid 2-aminopropanoic CH 3CH(NH 2)COOH crystals: Materials for photo- and acoustoinduced optoelectronic applications
(Springer Science+Business Media, LLC, 2012-10)
Photo-induced treatment of L-alanine single crystals grown by slow evaporation method at an ambient temperature was performed using a 25 ps Nd:YAG pulsed laser in the presence of an external acoustic filed. The changes of ...
Absorption and photoconductivity spectra of Ag 2GeS 3 crystal: Experiment and theory
(Elsevier B.V., 2012-07)
Spectral features of polycrystalline Ag 2GeS 3 samples synthesized from high-purity elements (at least 99.99 wt.% purity) in quartz ampoules evacuated to 0.1 Pa were explored. The band energy gap of Ag 2GeS 3 crystals ...
Structural, electronic properties and charge density distribution of the LiNaB 4O 7: Theory and experiment
(Elsevier B.V., 2012-11)
The title compound was synthesized by employing high-temperature solution reaction methods at 840 °C. Single-crystal XRD analysis showed that it crystallizes in the orthorhombic noncentrosymmetric space group Fdd2, with ...
Linear and nonlinear optical susceptibilities and hyperpolarizability of borate LiNaB 4O 7 single crystals: Theory and experiment
(American Institute of Physics., 2012-09)
LiNaB 4O 7 was synthesized by employing high-temperature reaction methods. The purity of the sample was checked by x-ray powder diffraction. The optical properties were measured by analyzing the diffuse reflectance data ...
Linear optical susceptibilities of the oxoborate (Pb 3O) 2(BO 3) 2WO 4: Theory and experiment
(Springer Science+Business Media, 2012-08)
The optical susceptibilities have been investigated experimentally and theoretically for a newly synthesized oxoborate, (Pb 3O) 2(BO 3) 2WO 4. The crystal structure is composed of one-dimensional 1 ∞ [Pb 3O] 4+ chains ...
Acentric nonlinear optical 2,4-dihydroxyl hydrazone isomorphic crystals with large linear, nonlinear optical susceptibilities and hyperpolarizability
(American Chemical Society, 2012-04)
A systematic ab initio study of the linear, nonlinear optical susceptibilities, and hyperpolarizability of noncentrosymmetric-monoclinic 2,4-dihydroxyl hydrazone isomorphic crystals (DHNPH) within density functional theory ...
Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds
(Elsevier B.V., 2012-01)
The influence of crystallochemical affinity for crystals ZrGa2 and ZrGa3 on the optical properties was studied. We have calculated dispersion of optical constants ε2average(ω). We have established that application of ...
Single-crystal oxoborate (Pb 3O) 2(BO 3) 2WO 4: Growth and characterization
(Elsevier Ltd, 2012-09)
An oxoborate, (Pb 3O) 2(BO 3) 2WO 4, has been prepared by solid-state reaction methods below 620°C. Single-crystal XRD analysis shows that it crystallizes in the orthorhombic group Cmcm with a = 18.480(4) , b = 6.3567(13) ...