Browsing School of Materials Engineering (Articles) by Author "Wilayat, Khan"
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The density functional study of electronic structure, electronic charge density, linear and nonlinear optical properties of single crystal alpha-LiAlTe₂
Ali Hussain, Reshak, Prof. Dr.; Wilayat, Khan (Elsevier, 2014)Self-consistent calculations is performed using the full potential linear augmented plane wave (FP-LAPW) technique based on density functional theory (DFT) to investigate the electronic band structure, density of states, ... -
Electronic structure, optical and thermoelectric transport properties of layered polyanionic hydrosulfate LiFeSO₄OH: Electrode for Li-ion batteries
Ali Hussain, Reshak, Prof. Dr.; Wilayat, Khan (Elsevier, 2014)Theoretical analysis of electronic structure and optical properties of LiFeSO₄OH, using the full-potential linearized augmented plane waves (FPLAPW), on the basis of density-functional theory (DFT), with in the local density ... -
Optoelectronic and thermoelectric properties of KAuX5 (X = S, Se): A first principles study
Wilayat, Khan; Ali Hussain, Reshak, Prof. Dr. (Springer US, 2014-02)The electronic structure as well as optical and thermoelectric properties of the orthorhombic polychalcogenides of gold KAuX5 (X = S, Se) compounds have been investigated using full-potential linearized augmented plane ...