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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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Structural, elastic and lattice dynamical properties of the alkali metal tellurides: First-principles study

Physica. B, Condensed matter, 2017-09, Vol.521, p.204-214

2017

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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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L21 and XA ordering competition in titanium-based full-Heusler alloys

Journal of materials chemistry. C, Materials for optical and electronic devices, 2017-01, Vol.5 (44), p.11559-11564

2017

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Electronic structure and magnetic properties of quaternary Heusler alloys CoRhMnZ (Z = Al, Ga, Ge and Si) via first-principle calculations

Journal of alloys and compounds, 2015-10, Vol.647, p.276-286

2015

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Prediction of possible martensitic transformations in all-d-metal Zinc-based Heusler alloys from first-principles

Journal of magnetism and magnetic materials, 2019-02, Vol.471, p.49-55

2019

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Electronic, Magnetic, Half-Metallic, and Mechanical Properties of a New Equiatomic Quaternary Heusler Compound YRhTiGe: A First-Principles Study

Materials, 2018-05, Vol.11 (5), p.797

2018

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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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First-principles computations of YxGa1-xAs-ternary alloys: a study on structural, electronic, optical and elastic properties

Bulletin of materials science, 2020-12, Vol.43 (1), p.22

2020

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Equiatomic quaternary Heusler compounds TiVFeZ (Z=Al, Si, Ge): Half-metallic ferromagnetic materials

Journal of alloys and compounds, 2021-11, Vol.883, p.160869, Article 160869

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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Opto-electronic response of spinels MgAl2O4 and MgGa2O4 through modified Becke-Johnson exchange potential

Physica. B, Condensed matter, 2012-07, Vol.407 (13), p.2588-2592

2012

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Structural, elastic, electronic, magnetic and optical properties of RbSrX(C, SI, Ge) half-Heusler compounds

Journal of magnetism and magnetic materials, 2015-03, Vol.377, p.204-210

2015

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Ultrahigh spin transport performance in Ti2CoGe based magnetic tunnel junction

Journal of magnetism and magnetic materials, 2019-12, Vol.492, p.165669, Article 165669

2019

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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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Insight into the robust multiple Dirac-cones in perovskite R3¯c phase CuBO3 semimetal from first-principles

Journal of molecular graphics & modelling, 2019-09, Vol.91, p.180-185

2019

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Structural, Elastic, Electronic and Optical Properties of LaOAgS-Type Silver Fluoride Chalcogenides: First-Principles Study

Journal of electronic materials, 2017-07, Vol.46 (7), p.4539-4556

2017

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Theoretical investigations of Zr-concentration influence on the thermodynamic, elastic, electronic, and structural stability of D022/L12-Al3Ti

The European physical journal. B, Condensed matter physics, 2024, Vol.97 (1), Article 1

2024

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Electronic properties and low lattice thermal conductivity (κl) of mono-layer (ML) MoS2: FP-LAPW incorporated with spin–orbit coupling (SOC)

RSC advances, 2020-05, Vol.10 (32), p.18830-18840

2020

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Insight into the mechanical, thermal, electronic and magnetic properties of cubic lanthanide built perovskites oxides PrXO3 (X = Al, Ga)

Materials research express, 2019-11, Vol.6 (12)

2019

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Exploring structural phase transition, electronic and optical characteristics of optoelectronic phosphides XSiP2 (X = Mg, Cd, and Zn) through First principle computation

Journal of molecular modeling, 2024-07, Vol.30 (7), p.202, Article 202

2024

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Pressure effect on structural, electronic optical and thermodynamic properties of cubic AlxIn1-xP: a first-principles study

Molecular physics, 2020-02, Vol.118 (3)

2020

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Temperature effect to investigate optical and structural properties of AZO nanostructures for optoelectronics

Bulletin of materials science, 2021-12, Vol.44 (1), p.39, Article 39

2021

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Structural, electronic and optical properties of spinel oxides ZnAl2O4, ZnGa2O4 and ZnIn2O4

Solid state sciences, 2011-08, Vol.13 (8), p.1638-1648

2011

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Site preference and tetragonal distortion in palladium-rich Heusler alloys

IUCrJ, 2019-03, Vol.6 (Pt 2), p.218-225

2019

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

Structural, elastic and lattice dynamical properties of the alkali metal tellurides: First-principles study

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

L21 and XA ordering competition in titanium-based full-Heusler alloys

Electronic structure and magnetic properties of quaternary Heusler alloys CoRhMnZ (Z = Al, Ga, Ge and Si) via first-principle calculations

Prediction of possible martensitic transformations in all-d-metal Zinc-based Heusler alloys from first-principles

Electronic, Magnetic, Half-Metallic, and Mechanical Properties of a New Equiatomic Quaternary Heusler Compound YRhTiGe: A First-Principles Study

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

First-principles computations of YxGa1-xAs-ternary alloys: a study on structural, electronic, optical and elastic properties

Equiatomic quaternary Heusler compounds TiVFeZ (Z=Al, Si, Ge): Half-metallic ferromagnetic materials

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

Opto-electronic response of spinels MgAl2O4 and MgGa2O4 through modified Becke-Johnson exchange potential

Structural, elastic, electronic, magnetic and optical properties of RbSrX(C, SI, Ge) half-Heusler compounds

Ultrahigh spin transport performance in Ti2CoGe based magnetic tunnel junction

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

Insight into the robust multiple Dirac-cones in perovskite R3¯c phase CuBO3 semimetal from first-principles

Structural, Elastic, Electronic and Optical Properties of LaOAgS-Type Silver Fluoride Chalcogenides: First-Principles Study

Theoretical investigations of Zr-concentration influence on the thermodynamic, elastic, electronic, and structural stability of D022/L12-Al3Ti

Electronic properties and low lattice thermal conductivity (κl) of mono-layer (ML) MoS2: FP-LAPW incorporated with spin–orbit coupling (SOC)

Insight into the mechanical, thermal, electronic and magnetic properties of cubic lanthanide built perovskites oxides PrXO3 (X = Al, Ga)

Exploring structural phase transition, electronic and optical characteristics of optoelectronic phosphides XSiP2 (X = Mg, Cd, and Zn) through First principle computation

Pressure effect on structural, electronic optical and thermodynamic properties of cubic AlxIn1-xP: a first-principles study

Temperature effect to investigate optical and structural properties of AZO nanostructures for optoelectronics

Structural, electronic and optical properties of spinel oxides ZnAl2O4, ZnGa2O4 and ZnIn2O4

Site preference and tetragonal distortion in palladium-rich Heusler alloys

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