peiman Amiri
Department of Physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran
[ 1 ] - Ab-initio study of Electronic, Optical, Dynamic and Thermoelectric properties of CuSbX2 (X=S,Se) compounds
Abstract: In this work we investigate the electronic, optical, dynamic and thermoelectric properties of ternary copper-based Chalcogenides CuSbX2 (X= S, Se) compounds. Calculations are based on density functional theory and the semi-classical Boltzmann theory. Computations have been carried out by using Quantum-Espresso (PWSCF) package and ab-initio pseudo-potential technique. To estimate the e...
[ 2 ] - Half-metallic properties of KP compound in a bulk and (001) surface of rock-salt structure: A b-initio study
Given the many applications of half-metals in the spintronics devices, we investigated the half-metallic properties of the KP compound in rock-salt (RS) and cesium chloride (CsCl) structural phases by using density functional theory. The results indicated that the KP compound as the half-metal in the RS structure, in contrast to the CsCl structure, due to the small lattice constant and failure ...
[ 3 ] - Investigation of phononic and thermal properties of the compound FeAl and Fe3Al using pseudopotentials method (Research Article)
Iron aluminide intermetallic compound, including compounds that have great features is that it's so great properties, due to its increasing use in industry is different. In thiswork, structural and dynamic properties of FeAl compounds including the structure of energybands, density of states, phonon and thermal properties in two-phase structures regularly evaluated and calculated. Calculations ...
[ 4 ] - Ab initio study of the Surface Passivation influence on electronic and optical Properties of (001) SbNSr3 anti-perovskite Surface
In this research, the electronic and optical properties of the (001) surface of SbNSr3 with SbSr and NSr2 terminations and surface passivation impact on electronic properties were investigated. The calculations were done within density functional theory and using pseudo-potential method. HSE hybrid functional was used for exchange correlation potential. The surface calculations were performed t...
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