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Structural, electronic and magnetic properties of Fe2-based full Heusler alloys: A first principle study

Journal of magnetism and magnetic materials, 2016-06, Vol.407, p.167-174

2016

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Electronic band structure, mechanical and optical characteristics of new lead-free halide perovskites for solar cell applications based on DFT computation

Bulletin of materials science, 2023-03, Vol.46 (2), p.55, Article 55

2023

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Electronic structure and optical properties of TaNO: An ab initio study

Journal of molecular graphics & modelling, 2019-11, Vol.92, p.296-302

2019

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DFT-based computer simulation of the physical properties of transparent conducting oxide of delafossite-type: AgInO2 and AgYO2

Physica. B, Condensed matter, 2021-01, Vol.601, p.412584, Article 412584

2021

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Electronic and thermoelectric properties of the layered BaFAgCh (Ch = S, Se and Te): First-principles study

Journal of alloys and compounds, 2018-08, Vol.759, p.32-43

2018

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Correction to: Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaPxBi1−x alloys

Journal of molecular modeling, 2022, Vol.28 (7), p.200-200, Article 200

2022

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First-principle calculations to investigate the elastic and thermodynamic properties of RBRh3 (R = Sc, Y and La) perovskite compounds

Molecular physics, 2012-01, Vol.110 (2), p.121-128

2012

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External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX (X=S, Se and Te)

Physica. B, Condensed matter, 2013-11, Vol.428, p.78-88

2013

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Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaPxBi1−x alloys

Journal of molecular modeling, 2022, Vol.28 (7), p.182-182, Article 182

2022

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Phase stability, mechanical, electronic, magnetic and optical properties of tetragonal and cubic M3V (M: Pd, Pt) structures

Journal of molecular graphics & modelling, 2020-11, Vol.100, p.107651-107651, Article 107651

2020

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Elastic, electronic, optical and thermodynamic properties of Ba3Ca2Si2N6 semiconductor: First-principles predictions

Physica. B, Condensed matter, 2020-07, Vol.589, p.412213, Article 412213

2020

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Phase stability and electronic behavior of MgS, MgSe and MgTe compounds

Phase transitions, 2017-10, Vol.90 (10), p.929-941

2017

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Phase stability and optoelectronic characteristics of Ba1−xBexS: a DFT-based simulation

Journal of molecular modeling, 2020-05, Vol.26 (6), p.147-147, Article 147

2020

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Electronic structure, X-ray absorption, and optical spectroscopy of LaCoO3 in the ground-state and excited-states

Journal of computational chemistry, 2012-03, Vol.33 (6), p.673-684

2012

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Density functional theory screening of some fundamental physical properties of Cs2InSbCl6 and Cs2InBiCl6 double perovskites

The European physical journal. B, Condensed matter physics, 2022-07, Vol.95 (7), Article 114

2022

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Thickness dependence of electrocaloric response in ferroelectric thin films

Materials letters, 2017-06, Vol.196, p.351-353

Bin-Omran, S.

2017

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Theoretical study of the structural, elastic, electronic and optical properties of XCaF3 (X = K and Rb)

Solid state sciences, 2015-05, Vol.43, p.9-14

2015

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Investigations of the half-metallic behavior and the magnetic and thermodynamic properties of half-Heusler CoMnTe and RuMnTe compounds： A first-principles study

Chinese physics B, 2014-08, Vol.23 (8), p.444-451

2014

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A new approach to study combination mixture organic solvent ethylene carbonate with lithium-ion for alkali-ion battery: A density functional theory

Journal of materials research and technology, 2021-03, Vol.11, p.1672-1677

2021

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Structural, mechanical, electronic and magnetic properties of a new series of quaternary Heusler alloys CoFeMnZ (Z=Si, As, Sb): A first-principle study

Journal of magnetism and magnetic materials, 2015-11, Vol.393, p.165-174

2015

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Hydrostatic pressure effects on the structural, elastic and thermodynamic properties of the complex transition metal hydrides A2OsH6 (A = Mg, Ca, Sr and Ba)

High pressure research, 2017-10, Vol.37 (4), p.558-578

2017

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Theoretical investigation of the structural stabilities, elastic properties and band structure characteristics of platinum carbide

Phase transitions, 2018-03, Vol.91 (3), p.271-283

2018

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First-principle analysis of the electronic and optical properties of boron and nitrogen doped carbon mono-layer graphenes

Carbon (New York), 2015-01, Vol.81, p.179-192

2015

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Ab initio prediction of the elastic, electronic and optical properties of a new family of diamond-like semiconductors, Li2HgMS4 (M = Si, Ge and Sn)

Journal of alloys and compounds, 2020-11, Vol.843, p.155991, Article 155991

2020

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Structural, elastic, optoelectronic and magnetic properties of CdHo2S4 spinel: a first-principle study

Bulletin of materials science, 2017-10, Vol.40 (6), p.1105-1110

2017

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Structural, electronic and magnetic properties of Fe2-based full Heusler alloys: A first principle study

Electronic band structure, mechanical and optical characteristics of new lead-free halide perovskites for solar cell applications based on DFT computation

Electronic structure and optical properties of TaNO: An ab initio study

DFT-based computer simulation of the physical properties of transparent conducting oxide of delafossite-type: AgInO2 and AgYO2

Electronic and thermoelectric properties of the layered BaFAgCh (Ch = S, Se and Te): First-principles study

Correction to: Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaPxBi1−x alloys

First-principle calculations to investigate the elastic and thermodynamic properties of RBRh3 (R = Sc, Y and La) perovskite compounds

External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX (X=S, Se and Te)

Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaPxBi1−x alloys

Phase stability, mechanical, electronic, magnetic and optical properties of tetragonal and cubic M3V (M: Pd, Pt) structures

Elastic, electronic, optical and thermodynamic properties of Ba3Ca2Si2N6 semiconductor: First-principles predictions

Phase stability and electronic behavior of MgS, MgSe and MgTe compounds

Phase stability and optoelectronic characteristics of Ba1−xBexS: a DFT-based simulation

Electronic structure, X-ray absorption, and optical spectroscopy of LaCoO3 in the ground-state and excited-states

Density functional theory screening of some fundamental physical properties of Cs2InSbCl6 and Cs2InBiCl6 double perovskites

Thickness dependence of electrocaloric response in ferroelectric thin films

Theoretical study of the structural, elastic, electronic and optical properties of XCaF3 (X = K and Rb)

Investigations of the half-metallic behavior and the magnetic and thermodynamic properties of half-Heusler CoMnTe and RuMnTe compounds： A first-principles study

A new approach to study combination mixture organic solvent ethylene carbonate with lithium-ion for alkali-ion battery: A density functional theory

Structural, mechanical, electronic and magnetic properties of a new series of quaternary Heusler alloys CoFeMnZ (Z=Si, As, Sb): A first-principle study

Hydrostatic pressure effects on the structural, elastic and thermodynamic properties of the complex transition metal hydrides A2OsH6 (A = Mg, Ca, Sr and Ba)

Theoretical investigation of the structural stabilities, elastic properties and band structure characteristics of platinum carbide

First-principle analysis of the electronic and optical properties of boron and nitrogen doped carbon mono-layer graphenes

Ab initio prediction of the elastic, electronic and optical properties of a new family of diamond-like semiconductors, Li2HgMS4 (M = Si, Ge and Sn)

Structural, elastic, optoelectronic and magnetic properties of CdHo2S4 spinel: a first-principle study

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