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Further optical properties of CdX (X¼ S, Te) compounds under quantum dot diameter effect: Ab initio method
(Elsevier Ltd., 2012-09)
For energy band calculations, the indirect energy gap (G X) is calculated using density functional theory
(DFT) of the full potential-linearized augmented plane wave (FP-LAPW) method as implemented in
WIEN2K code. The ...
First-principle calculations to investigate the elastic and thermodynamic properties of RBRh 3 (R =Sc, y and La) perovskite compounds
(Taylor and Francis Group, 2012-01-20)
We have performed first-principle calculations using the full-potential linear augmented plane wave (FP-LAPW) method within density functional theory (DFT) to investigate the structural, elastic and thermodynamic properties ...
First-principles calculations to investigate optical properties of B yAl xIn 1-x-yN alloys for optoelectronic devices
(Elsevier Ltd., 2012-03)
First-principles density-functional theory of Full-Potential Linear Augmented Plane Wave (FP-LAPW) within local density approximation (LDA) of the optical properties of B yAl xIn 1- x-yN systems (with x = 0.187 and y = ...
First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys
(Elsevier B.V., 2012-04-15)
Density functional calculations are performed to study the structural, electronic and optical properties of technologically important BxGa1−xAs ternary alloys. The calculations are based on the total-energy calculations ...