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Emergence of half metallicity in Cr-doped GaP dilute magnetic semiconductor compound within solubility limit
(Elsevier B.V., 2012-09)
The electronic and magnetic properties of Ga 1- xCr xP dilute magnetic semiconductor (DMS) compound for dopant concentration, x = 0.25, 0.125, 0.06 and 0.03 have been investigated using WIEN2k implementation of full potential ...
Evidence of Coulomb correction and spin-orbit coupling in rare-earth dioxides CeO2, PrO2 and TbO2: An ab initio study
(Elsevier B.V., 2012-04)
The current study investigates the structural, elastic, electronic and optical properties of CeO 2, PrO 2 and TbO 2 using the full potential (linearized) augmented plane wave plus local orbital method within the WuCohen ...
Electronic structure, electronic charge density and optical properties analyses of Rb₂Al₂B₂O₇ compound: DFT
(ESG, 2014-01)
We have presented an analysis of some important electronic and optical characteristics of the Rb₂Al₂B₂O₇ compound, based on the ab initio calculations of its electronic band structure, electronic charge density and dielectric ...
Variation of half metallicity and magnetism of Cd₁₋xCrxZ (Z=S, Se and Te) DMS compounds on reducing dilute limit
(Elsevier (Imprint: NORTH-HOLLAND), 2013-04)
The electronic and magnetic properties of Cr-doped Cd-Chalcogenides, Cd₁₋xCrxZ (Z=S, Se and Te) for dopant concentration, x=0.25 and 0.125 are presented in order to search new Dilute Magnetic Semiconductor (DMS) compounds ...
The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4
(Springer Berlin Heidelberg, 2013-11)
The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4 compound with the monoclinic structure have been investigated using a full-relativistic version of the ...
DFT calculation of the electronic and optical properties of Ag 2PdO2 from X-ray and neutron crystallographic data
(Elsevier B.V., 2013)
Electronic and optical properties of ternary silver palladium oxide (Ag2PdO2) are investigated using density functional theory. Two different possible approximations for the exchange correlation potentials were employed. ...
Thermoelectric properties of a single graphene sheet and its derivatives
(Royal Society of Chemistry, 2014-04)
The thermoelectric properties of pristine graphene and H2S adsorbed onto bridge, hollow and top sites of a graphene sheet are investigated using the semi-classical Boltzmann transport theory. The average values of electrical ...
Density functional study of electronic, charge density, and chemical bonding properties of 9-methyl-3-Thiophen-2-YI-Thieno [3,2-e] [1, 2, 4] Thriazolo [4,3-c] pyrimidine-8-Carboxylic acid ethyl ester crystals
(Elsevier B. V., 2014-06)
A comprehensive theoretical density functional investigation of the electronic crystal structure, chemical bonding, and the electron charge densities of 9-Methyl-3-Thiophen-2-YI-Thieno [3, 2-e] [1, 2, 4] Thriazolo [4,3-c] ...
Morphology, analysis and properties studies of CdS nanostructures under thiourea concentration effect for photovoltaic applications
(Electrochemical Science Group, 2013-08)
CdS nanostructures are prepared by sol-gel spin coating method using different thiourea concentrations. The thiourea concentration effect for CdS nanostructures deposited on quartz substrate is studied. The CdS nanostructures ...
Optoelectronic properties of GaAs and AlAs under temperature effect
(Elsevier GmbH, 2013-08)
An application study of optoelectronic properties as a function of the temperature for GaAs and AlAs according to our model has been presented using empirical pseudopotential method (EPM). The structural phase transition ...