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Improvement electronic and magnetic properties of Cr impurity doped PbSe for optoelectronic devices applications: a first-principles proposal

The European physical journal. B, Condensed matter physics, 2021-05, Vol.94 (5), Article 96

2021

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Assessing the viability of hydrogen-based perovskites for optoelectronic and thermoelectric applications via first principle modeling

Journal of molecular modeling, 2024-07, Vol.30 (7), p.234, Article 234

2024

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Erratum to: Improvement electronic and magnetic properties of Cr impurity doped PbSe for optoelectronic devices applications: a first-principles proposal

The European physical journal. B, Condensed matter physics, 2021-05, Vol.94 (5), Article 104

2021

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Structural stability, induced magnetism and half-metallic band gaps in Cr-substituted GaSb: novel prediction via semi-local potential

Optical and quantum electronics, 2024-08, Vol.56 (9)

2024

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Investigation of the structural properties and the magneto-electronic performances in new Ba1−xCrxS materials

Optical and quantum electronics, 2022-11, Vol.54 (11), Article 747

2022

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First-principle calculations to investigate the structural, elastic, electronic and thermodynamic properties of the multiferroic material YMnS3

Indian journal of physics, 2024, Vol.98 (1), p.117-126

2024

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The replacement reflection of a transition metal 3d3 by 3d7 on 4a site in Mn2PtZ compounds: FP-LAPW approach

Indian journal of physics, 2022, Vol.96 (6), p.1663-1672

2022

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Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations

Journal of superconductivity and novel magnetism, 2018-03, Vol.31 (3), p.915-923

2018

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FP-LAPW investigation of mechanical and thermodynamic properties of X2O (X=Na and K) under pressure and temperature effects

Optik (Stuttgart), 2016-06, Vol.127 (12), p.5155-5162

2016

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L21 and XA ordering effect on phase stability, electronic structure, magnetic and thermodynamic properties in Scandium-Based Full-Heusler Alloys Sc2CoZ (Z = Al, Ga, In)

The European physical journal. B, Condensed matter physics, 2020-12, Vol.93 (12), Article 219

2020

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and XA ordering effect on phase stability, electronic structure, magnetic and thermodynamic properties in Scandium-Based Full-Heusler Alloys [Sc.sub.2]CoZ

The European physical journal. B, Condensed matter physics, 2020-12, Vol.93 (12)

2020

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Structural, magnetic, electronic and mechanical properties of full-Heusler alloys Co2YAl (Y=Fe, Ti): First principles calculations with different exchange-correlation potentials

Journal of magnetism and magnetic materials, 2018-02, Vol.448, p.208-220

2018

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FP-LAPW investigation of mechanical and thermodynamic properties of Na2X (X = S and Se) under pressure and temperature effects

Materials science--Poland, 2015-09, Vol.33 (3), p.649-659

2015

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Investigating the structural, electronic, and elastic properties of Li-based quaternary Heusler alloy semiconductors using hybrid functional – HSE06 bandgap recalculations

Inorganic chemistry communications, 2023-04, Vol.150, p.110479, Article 110479

2023

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DFT+U, TB-mBJ, and hybrid approaches: investigating electronic topology and magnetic properties in Sn-doped Co 2 TiGa

Physica scripta, 2024-05, Vol.99 (5), p.55962

2024

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DFT+U, TB-mBJ, and hybrid approaches: investigating electronic topology and magnetic properties in Sn-doped Co2TiGa

Physica scripta, 2024-05, Vol.99 (5)

2024

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First-principles calculation to investigate phase transition and associated changes in electronic, excitonic, and optical behavior of RbMgH3 perovskite polymorphs

International journal of hydrogen energy, 2024-08, Vol.79, p.901-908

2024

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Electronic, elastic and piezoelectric properties calculations of perovskites materials type BiXO3(X = Al, Sc): DFT and DFPT investigations

Chemical physics, 2023-09, Vol.573, p.111998, Article 111998

2023

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Mg substitution in zinc selenide: Enhanced optoelectronic and thermoelectric performance

International journal of quantum chemistry, 2022-05, Vol.122 (10), p.n/a

2022

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First-principles Calculations of Structural, Magnetic Electronic and Optical Properties of Rare-earth Metals TbX (X=N, O, S, Se)

Journal of superconductivity and novel magnetism, 2017-12, Vol.30 (12), p.3471-3479

2017

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Structural, Elastic, Thermodynamic, Electronic, and Magnetic Investigations of Full-Heusler Compound Ag2CeAl: FP-LAPW Method

Journal of superconductivity and novel magnetism, 2018-10, Vol.31 (10), p.3183-3192

2018

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Dislocations and crystallite size distribution of cadmium oxide thin films synthesized by spray pyrolysis technique

Materials science & engineering. B, Solid-state materials for advanced technology, 2022-12, Vol.286, p.116055, Article 116055

2022

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Theoretical investigation of novel half Heusler compounds MRhSb (M = Nb & Ta): For optoelectronic and thermoelectric applications

International journal of quantum chemistry, 2021-07, Vol.121 (13), p.n/a

2021

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Theoretical investigations of electronic, thermodynamic and thermoelectric properties of filled skutterudites ThFe4P12 and CeFe4P12 using DFT calculations

Solid state communications, 2024-03, Vol.380, p.115435, Article 115435

2024

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First-principle investigation of magnetic and electronic properties of vanadium- and chromium-doped cubic aluminum phosphide

Materials science in semiconductor processing, 2015-04, Vol.32, p.166-171

2015

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Improvement electronic and magnetic properties of Cr impurity doped PbSe for optoelectronic devices applications: a first-principles proposal

Assessing the viability of hydrogen-based perovskites for optoelectronic and thermoelectric applications via first principle modeling

Erratum to: Improvement electronic and magnetic properties of Cr impurity doped PbSe for optoelectronic devices applications: a first-principles proposal

Structural stability, induced magnetism and half-metallic band gaps in Cr-substituted GaSb: novel prediction via semi-local potential

Investigation of the structural properties and the magneto-electronic performances in new Ba1−xCrxS materials

First-principle calculations to investigate the structural, elastic, electronic and thermodynamic properties of the multiferroic material YMnS3

The replacement reflection of a transition metal 3d3 by 3d7 on 4a site in Mn2PtZ compounds: FP-LAPW approach

Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT4Sb12: LDA and LSDA Calculations

FP-LAPW investigation of mechanical and thermodynamic properties of X2O (X=Na and K) under pressure and temperature effects

L21 and XA ordering effect on phase stability, electronic structure, magnetic and thermodynamic properties in Scandium-Based Full-Heusler Alloys Sc2CoZ (Z = Al, Ga, In)

and XA ordering effect on phase stability, electronic structure, magnetic and thermodynamic properties in Scandium-Based Full-Heusler Alloys [Sc.sub.2]CoZ

Structural, magnetic, electronic and mechanical properties of full-Heusler alloys Co2YAl (Y=Fe, Ti): First principles calculations with different exchange-correlation potentials

FP-LAPW investigation of mechanical and thermodynamic properties of Na2X (X = S and Se) under pressure and temperature effects

Investigating the structural, electronic, and elastic properties of Li-based quaternary Heusler alloy semiconductors using hybrid functional – HSE06 bandgap recalculations

DFT+U, TB-mBJ, and hybrid approaches: investigating electronic topology and magnetic properties in Sn-doped Co 2 TiGa

DFT+U, TB-mBJ, and hybrid approaches: investigating electronic topology and magnetic properties in Sn-doped Co2TiGa

First-principles calculation to investigate phase transition and associated changes in electronic, excitonic, and optical behavior of RbMgH3 perovskite polymorphs

Electronic, elastic and piezoelectric properties calculations of perovskites materials type BiXO3(X = Al, Sc): DFT and DFPT investigations

Mg substitution in zinc selenide: Enhanced optoelectronic and thermoelectric performance

First-principles Calculations of Structural, Magnetic Electronic and Optical Properties of Rare-earth Metals TbX (X=N, O, S, Se)

Structural, Elastic, Thermodynamic, Electronic, and Magnetic Investigations of Full-Heusler Compound Ag2CeAl: FP-LAPW Method

Dislocations and crystallite size distribution of cadmium oxide thin films synthesized by spray pyrolysis technique

Theoretical investigation of novel half Heusler compounds MRhSb (M = Nb & Ta): For optoelectronic and thermoelectric applications

Theoretical investigations of electronic, thermodynamic and thermoelectric properties of filled skutterudites ThFe4P12 and CeFe4P12 using DFT calculations

First-principle investigation of magnetic and electronic properties of vanadium- and chromium-doped cubic aluminum phosphide

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