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Investigated optical studies of Si quantum dot
(Elsevier Ltd., 2011-09)
Further study of the quantum dot potential for Si is presented. This potential has been calculated by means of our recent empirical model. The indirect energy gap (Γ-X) is calculated using the full potential-linearized ...
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 ...