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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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Effects of Electron Correlations on the Magnetic Stability of Rh2TMSn Full Heusler Alloys (TM=Cr, Mn, and Fe)

Journal of electronic materials, 2022-08, Vol.51 (8), p.4407-4424

2022

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New pressure-induced polymorphic transitions of anhydrous magnesium sulfate

Dalton transactions : an international journal of inorganic chemistry, 2017-04, Vol.46 (15), p.558-568

2017

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Comprehensive DFT investigation of ternary thallium tetragonal crystals: assessing their viability for solar cell applications

Physica scripta, 2024-04, Vol.99 (4), p.45931

2024

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Theoretical investigation of the structural, electronic, elastic and optical properties of the ternary monoclinic compounds KGaQ2 (Q = S, Se and Te)

Bulletin of materials science, 2023-03, Vol.46 (1), p.36, Article 36

2023

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Structural and elastic properties under pressure effect of the cubic antiperovskite compounds ANCa3 (A=P, As, Sb, and Bi)

Physics letters. A, 2009-04, Vol.373 (20), p.1777-1781

2009

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Prediction study of the structural, elastic and electronic properties of ANSr3 (A = As, Sb and Bi)

Computational materials science, 2009-10, Vol.46 (4), p.881-886

2009

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Elastic, electronic, optical and thermoelectric properties of the novel Zintl-phase Ba2ZnP2

Solid state sciences, 2022-06, Vol.128, p.106893, Article 106893

2022

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Structural and optical properties of vanadium and hafnium nitride nanoscale films : effect of stoichiometry

The European physical journal. B, Condensed matter physics, 2007-12, Vol.60 (3), p.305-312

2007

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Structural, electronic, elastic and optical properties of RbLnSe2 (Ln = Sm, Tb, Ho, Er): Ab initio study

Journal of solid state chemistry, 2023-11, Vol.327, p.124237, Article 124237

2023

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Structural and elastic properties under pressure effect of the cubic antiperovskite compounds ANCa 3 (A = P, As, Sb, and Bi)

Physics letters. A, 2009-04, Vol.373 (20), p.1777-1781

2009

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Pressure dependence of the electronic, optical, thermoelectric, thermodynamic properties of CsVO3: first-principles study

Philosophical magazine (Abingdon, England), 2022-08, Vol.102 (15), p.1522-1546

2022

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Theoretical investigation of the structural, electronic, elastic and optical properties of the new layered ternary chalcogenide tetragonal compounds Cu2MX4 (M = W and Mo; X=S and Se)

Journal of solid state chemistry, 2023-05, Vol.321, p.123880, Article 123880

2023

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Pressure dependence of the electronic, optical, thermoelectric, thermodynamic properties of CsVO 3 : first-principles study

Philosophical magazine (Abingdon, England), 2022-08, Vol.102 (15), p.1522-1546

2022

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Structural, electronic and magnetic properties of the manganese telluride layers AMnTe2 (A = K, Rb, Cs) from first-principles calculations

Journal of magnetism and magnetic materials, 2018-11, Vol.465, p.430-436

2018

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A comprehensive study of the structural, elastic, electronic, and optical properties of the tetragonal sodium chalcogenides NaAlX 2 (X = O, S, Se, Te)

Philosophical magazine (Abingdon, England), 2022-01, Vol.102 (1), p.69-94

2022

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A comprehensive study of the structural, elastic, electronic, and optical properties of the tetragonal sodium chalcogenides NaAl X 2 ( X = O, S, Se, Te)

Philosophical magazine (Abingdon, England), 2022-01, Vol.102 (1), p.69-94

2022

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Corrigendum to “Structural, electronic and magnetic properties of the manganese telluride layers AMnTe2 (A = K, Rb, Cs) from first-principles calculations” [J. Magn. Magn. Mater. 465 (2018) 430–436]

Journal of magnetism and magnetic materials, 2020-03, Vol.498, p.166210, Article 166210

2020

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Effect of Mn content in Fe(1−x)MnxB (x = 0, 0.25, 0.5, 0.75 and 1) on physical properties - ab initio calculations

Materials science--Poland, 2019-03, Vol.37 (1), p.71-82

2019

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First-principles analysis of the structural, thermodynamic, elastic and thermoelectric properties of LuXCo2Sb2 (X = V, Nb and Ta) double half Heusler alloys

Inorganic chemistry communications, 2024-01, Vol.159, p.111733, Article 111733

2024

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Theoretical investigation of the structural, elastic, electronic, and optical properties of the ternary tetragonal tellurides KBTe2 (B = Al, In)

Materials science in semiconductor processing, 2020-08, Vol.114, p.105085, Article 105085

2020

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Effect of Mn content in Fe( 1−x )Mn x B (x = 0, 0.25, 0.5, 0.75 and 1) on physical properties - ab initio calculations

Materials science--Poland, 2019-03, Vol.37 (1), p.71-82

2019

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First-principles calculations of structural, elastic, electronic and optical properties of the antiperovskite AsNMg3

Physics letters. A, 2007-11, Vol.371 (4), p.337-343

2007

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Effect of Oxygen Flow Rate on PECVD Prepared ZnO Thin Films Physical Properties: Experiments Associated with DFT Calculations

Acta physica Polonica, A, 2022-08, Vol.142 (2), p.216-225

2022

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Structural, electronic and magnetic properties of the manganese telluride layers AMnTe^sub 2^ (A?=?K, Rb, Cs) from first-principles calculations

Journal of magnetism and magnetic materials, 2018-11, Vol.465, p.430

2018

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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)

Effects of Electron Correlations on the Magnetic Stability of Rh2TMSn Full Heusler Alloys (TM=Cr, Mn, and Fe)

New pressure-induced polymorphic transitions of anhydrous magnesium sulfate

Comprehensive DFT investigation of ternary thallium tetragonal crystals: assessing their viability for solar cell applications

Theoretical investigation of the structural, electronic, elastic and optical properties of the ternary monoclinic compounds KGaQ2 (Q = S, Se and Te)

Structural and elastic properties under pressure effect of the cubic antiperovskite compounds ANCa3 (A=P, As, Sb, and Bi)

Prediction study of the structural, elastic and electronic properties of ANSr3 (A = As, Sb and Bi)

Elastic, electronic, optical and thermoelectric properties of the novel Zintl-phase Ba2ZnP2

Structural and optical properties of vanadium and hafnium nitride nanoscale films : effect of stoichiometry

Structural, electronic, elastic and optical properties of RbLnSe2 (Ln = Sm, Tb, Ho, Er): Ab initio study

Structural and elastic properties under pressure effect of the cubic antiperovskite compounds ANCa 3 (A = P, As, Sb, and Bi)

Pressure dependence of the electronic, optical, thermoelectric, thermodynamic properties of CsVO3: first-principles study

Theoretical investigation of the structural, electronic, elastic and optical properties of the new layered ternary chalcogenide tetragonal compounds Cu2MX4 (M = W and Mo; X=S and Se)

Pressure dependence of the electronic, optical, thermoelectric, thermodynamic properties of CsVO 3 : first-principles study

Structural, electronic and magnetic properties of the manganese telluride layers AMnTe2 (A = K, Rb, Cs) from first-principles calculations

A comprehensive study of the structural, elastic, electronic, and optical properties of the tetragonal sodium chalcogenides NaAlX 2 (X = O, S, Se, Te)

A comprehensive study of the structural, elastic, electronic, and optical properties of the tetragonal sodium chalcogenides NaAl X 2 ( X = O, S, Se, Te)

Corrigendum to “Structural, electronic and magnetic properties of the manganese telluride layers AMnTe2 (A = K, Rb, Cs) from first-principles calculations” [J. Magn. Magn. Mater. 465 (2018) 430–436]

Effect of Mn content in Fe(1−x)MnxB (x = 0, 0.25, 0.5, 0.75 and 1) on physical properties - ab initio calculations

First-principles analysis of the structural, thermodynamic, elastic and thermoelectric properties of LuXCo2Sb2 (X = V, Nb and Ta) double half Heusler alloys

Theoretical investigation of the structural, elastic, electronic, and optical properties of the ternary tetragonal tellurides KBTe2 (B = Al, In)

Effect of Mn content in Fe( 1−x )Mn x B (x = 0, 0.25, 0.5, 0.75 and 1) on physical properties - ab initio calculations

First-principles calculations of structural, elastic, electronic and optical properties of the antiperovskite AsNMg3

Effect of Oxygen Flow Rate on PECVD Prepared ZnO Thin Films Physical Properties: Experiments Associated with DFT Calculations

Structural, electronic and magnetic properties of the manganese telluride layers AMnTe^sub 2^ (A?=?K, Rb, Cs) from first-principles calculations

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