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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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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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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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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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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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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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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 Co2TiGa

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

2024

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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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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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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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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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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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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 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

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

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

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

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

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)

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 Co2TiGa

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

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

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

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

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

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

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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