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Optical investigations using ultra-soft pseudopotential calculations of Si0.5Ge0.5 alloy
(Elsevier Ltd, 2008-12)
Ultra-soft pseudopotential (US-PP) calculations with a powerful package called VASP (Vienna ab initio simulation package) are used. The total density of state and the energy gap of Si0.5Ge0.5 alloy of zinc-blende structure ...
Calculated optical properties of GaX (X=P, As, Sb) under hydrostatic pressure
(Springer-Verlag, 2011)
The hydrostatic pressure dependence of the principal energy gaps and of the optical properties of GaX (X = P, As and Sb) has been calculated using the full potential-linearized augmented plane wave (FP-LAPW) method. The ...
Theoretical investigation for Li2CuSb as multifunctional materials: Electrode for high capacity rechargeable batteries and novel materials for second harmonic generation
(Elsevier B.V., 2011-07-28)
Based on the first-principles electronic structure calculations, we predict that Li2CuSb should be good electrode materials for high capacity rechargeable batteries and novel materials for second harmonic generation. This ...
Electronic band structure and optical properties of titanium oxyphosphates Li0.50Co0.25TiO(PO4) single crystals: An ab-initio calculations
(Elsevier Inc., 2011-08)
From the refined atomic positions obtained by Belmal et al. (2004) using X-ray diffraction for Li0.50Co0.25TiO(PO4), we have performed a structural optimization by minimizing the forces acting on the atoms keeping the ...
Full potential study of the elastic, electronic, and optical properties of spinels MgIn2S4 and CdIn2S4 under pressure effect
(Elsevier Inc., 2010-12)
The structural, elastic, electronic, and optical properties of cubic spinel MgIn2S4 and CdIn2S4 compounds have been calculated using a full relativistic version of the full-potential linearized-augmented plane wave with ...
FP-LAPW investigation of structural, electronic, linear and nonlinear optical properties of ZnIn2Te4 defect-chalcopyrite
(Elsevier B. V., 2010-12)
A theoretical study of structural, electronic, linear and nonlinear optical properties of ZnIn2Te4 defect-chalcopyrite is presented using the full-potential linearized augmented plane-wave (FP-LAPW) method. The exchange ...
Structural, elastic, electronic and optical properties of Cu3TMSe4 (TM = V, Nb and Ta) sulvanite compounds via first-principles calculations
(American Scientific Publishers, 2013-01)
The structural and optoelectronic properties of the cubic Cu3TMSe4 (TM = V, Nb and Ta) sulvanite compounds have been calculated using a full-potential augmented plane wave plus local orbitals (FP-APW+lo) method within the ...
Effect of annealing temperature on the optical and electrical properties of Mg doped TiO₂ thin films
(Universiti Malaysia Perlis (UniMAP), 2017)
In order to achieve high conductivity and transmittance of transparent conducting
oxide (TCO), we attempted to fabricate Mg doped TiO₂ (Mg0.01Ti0.99O2) thin films and
characterized them for their structural and optical ...
Substrate temperature effects on optical properties and constants of ZnO
(Universiti Malaysia Perlis (UniMAP), 2019-07)
The preparation process of ZnO TCO (Transparent Conducting Oxide) thin films have been conducted in this paper. A Q-switched Nd:YAG laser of 7 ns duration and 1 joule of energy was utilized to perform the deposition process ...
Optical, electrical and photovoltaic studies of γ-MnS thin films deposited by spray pyrolysis technique
(Universiti Malaysia Perlis (UniMAP), 2019-07)
γ-MnS thin films were prepared on glass substrate by spray pyrolysis method at 280 °C. The optical constants and thickness of the films were extracted using the pattern search optimization technique in combination with a ...