Browsing School of Materials Engineering (Articles) by Author "sayaz_usb@yahoo.com"
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Density of electronic states and dispersion of optical functions of defect chalcopyrite CdGa2X4 (X = S, Se): DFT study
Ali Hussain, Reshak, Prof. Dr.; Saleem Ayaz, Khan (Elsevier Limited, 2013)A density functional theory (DFT) based on full potential linear augmented plane wave (FPLAPW) was used for calculating the electronic structure, charge density and optical properties of CdGa2X4 (X = S, Se) compounds. Local ... -
Dispersion of the second harmonic generation from CdGa₂X₄ (X = S, Se) defect chalcopyrite: DFT calculations
Ali Hussain, Reshak, Prof. Dr.; Saleem Ayaz, Khan (Elsevier, 2014)All electron full potential linear augmented plane wave method was used for calculating the nonlinear optical susceptibilities of CdGa₂X4₄(X = S, Se) within the framework of density functional theory. The exchange correlation ... -
NaAuS chicken-wire-like semiconductor: electronic structure and optical properties
Ali Hussain, Reshak, Prof. Dr.; Saleem Ayaz, Khan; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Jiri Bila (Elsevier, 2014-01)The electronic structure, charge density and optical properties of NaAuS a chicken-wire-like semiconductor was calculated using full potential linear augmented plane wave based on density functional theory. The Ceperley-Alder ... -
Thermoelectric properties, electronic structure and optoelectronic properties of anisotropic Ba₂Tl₂CuO₆ single crystal from DFT approach
Ali Hussain, Reshak, Prof. Dr.; Saleem Ayaz, Khan (Elsevier/NORTH-HOLLAND, 2014-03)First principle calculation was performed for the electronic structure, electronic charge density, Fermi surface, optical and thermoelectric properties of Ba₂Tl₂CuO₆ compound. From the electronic band structure the two ...