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Justification of crystal stability and origin of transport properties in ternary half-Heusler ScPtBi

RSC advances, 2020-10, Vol.1 (61), p.37482-37488

2020

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Comprehensive study on the physical properties of tetragonal LaTGe3 (T = Rh, Ir, or Pd) compounds: An ab initio investigation

AIP advances, 2021-02, Vol.11 (2), p.025046-025046-13

2021

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Band gap engineering to stimulate the optoelectronic performance of lead-free halide perovskites RbGeX3 (X = Cl, Br) under pressure

Journal of materials science. Materials in electronics, 2022-06, Vol.33 (17), p.13860-13875

2022

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Physical properties of chromium-doped barium titanate: Effects of chromium incorporation

Physica. B, Condensed matter, 2022-02, Vol.626, p.413494, Article 413494

2022

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Red shift of lead-free halide perovskite RbCaCl3 under pressure for enhancing optoelectronic performance

Physica scripta, 2023-03, Vol.98 (3)

2023

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Influence of metalloid antimony on the physical properties of palladium-based half-Heusler compared to the metallic bismuth: A first-principle study

Journal of alloys and compounds, 2020-09, Vol.836, p.155395, Article 155395

2020

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Study on low hydrostatic pressure-dependent optoelectronic, mechanical, and anisotropic properties of heavy thallium perovskites TlPbX3 (X = Cl, Br)

Journal of materials research, 2023-04, Vol.38 (7), p.2007-2017

2023

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Structural, mechanical, electronic, and anisotropic properties of niobium-doped strontium ferrite: first-principle calculations

Applied physics. A, Materials science & processing, 2021, Vol.127 (1), Article 36

2021

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Exploration of the physical properties of the newly synthesized kagome superconductor LaIr3Ga2 using different exchange–correlation functionals

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (48), p.29640-29654

2022

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Enhanced optoelectronic activity of lead-free halide perovskites KMBr3 (M = Ge, Sn) under hydrostatic pressure

Physica scripta, 2023-07, Vol.98 (7)

2023

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Effect of the negative chemical pressure on physical properties of doped perovskite molybdates in the framework of DFT method

Journal of alloys and compounds, 2021-02, Vol.854, p.157088, Article 157088

2021

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Exploration of the physical properties of the newly synthesized kagome superconductor LaIr 3 Ga 2 using different exchange-correlation functionals

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (48), p.29640-29654

2022

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Insights into the physical properties and anisotropic nature of ErPdBi with an appearance of low minimum thermal conductivity

Chinese physics B, 2021-01, Vol.30 (1), p.16203

2021

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Pressure-driven modification of optoelectronic features of ACaCl3 (A = Cs, Tl) for device applications

Heliyon, 2024-03, Vol.10 (5), p.e26733-e26733, Article e26733

2024

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Zirconium trigallide polymorphs with tetragonal and cubic structures: optical and thermodynamic properties

Indian journal of physics, 2021-04, Vol.95 (4), p.587-594

2021

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Newly synthesized A-site ordered cubic-perovskite superconductor (Ba0.54K0.46)4Bi4O12: A DFT investigation

Physica. C, Superconductivity, 2020-07, Vol.574, p.1353669, Article 1353669

2020

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Unraveling the effects of metal incorporation in cubic perovskite SrCoO3 by partially replacing Co atoms

Chemical physics letters, 2022-01, Vol.786, p.139208, Article 139208

2022

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Electronic phase transition and enhanced optoelectronic performance of lead-free halide perovskites AGeI3 (A = Rb, K) under pressure

Materials today communications, 2022-06, Vol.31, p.103532, Article 103532

2022

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Influence of spin–orbit coupling and biaxial strain on the inorganic lead iodide perovskites, APbI3 (A = K, Rb, and Cs)

The Journal of physics and chemistry of solids, 2022-11, Vol.170, p.110919, Article 110919

2022

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Structural, mechanical, thermal, and optical properties of inverse-Heusler alloys Cr2CoZ (Z = Al, In): A first-principles investigation

Physics letters. A, 2021-01, Vol.385, p.126967, Article 126967

2021

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First-principles calculations to investigate pressure-driven electronic phase transition of lead-free halide perovskites KMCl3 (M = Ge, Sn) for superior optoelectronic performance

Results in physics, 2023-01, Vol.44, p.106212, Article 106212

2023

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Effect of boron incorporation into the carbon-site in Nb2SC MAX phase: Insights from DFT

Journal of materials research and technology, 2021-03, Vol.11, p.1969-1981

2021

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Red shift of lead-free halide perovskite RbCaCl 3 under pressure for enhancing optoelectronic performance

Physica scripta, 2023-03, Vol.98 (3), p.35806

2023

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Exploration of the physical properties of the newly synthesized kagome superconductor LaIrGa using different exchange-correlation functionals

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (48), p.2964-29654

2022

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Comprehensive first-principles calculations on physical properties of ScV2Ga4 and ZrV2Ga4 in comparison with superconducting HfV2Ga4

Materials today communications, 2020-09, Vol.24, p.100935, Article 100935

2020

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Justification of crystal stability and origin of transport properties in ternary half-Heusler ScPtBi

Comprehensive study on the physical properties of tetragonal LaTGe3 (T = Rh, Ir, or Pd) compounds: An ab initio investigation

Band gap engineering to stimulate the optoelectronic performance of lead-free halide perovskites RbGeX3 (X = Cl, Br) under pressure

Physical properties of chromium-doped barium titanate: Effects of chromium incorporation

Red shift of lead-free halide perovskite RbCaCl3 under pressure for enhancing optoelectronic performance

Influence of metalloid antimony on the physical properties of palladium-based half-Heusler compared to the metallic bismuth: A first-principle study

Study on low hydrostatic pressure-dependent optoelectronic, mechanical, and anisotropic properties of heavy thallium perovskites TlPbX3 (X = Cl, Br)

Structural, mechanical, electronic, and anisotropic properties of niobium-doped strontium ferrite: first-principle calculations

Exploration of the physical properties of the newly synthesized kagome superconductor LaIr3Ga2 using different exchange–correlation functionals

Enhanced optoelectronic activity of lead-free halide perovskites KMBr3 (M = Ge, Sn) under hydrostatic pressure

Effect of the negative chemical pressure on physical properties of doped perovskite molybdates in the framework of DFT method

Exploration of the physical properties of the newly synthesized kagome superconductor LaIr 3 Ga 2 using different exchange-correlation functionals

Insights into the physical properties and anisotropic nature of ErPdBi with an appearance of low minimum thermal conductivity

Pressure-driven modification of optoelectronic features of ACaCl3 (A = Cs, Tl) for device applications

Zirconium trigallide polymorphs with tetragonal and cubic structures: optical and thermodynamic properties

Newly synthesized A-site ordered cubic-perovskite superconductor (Ba0.54K0.46)4Bi4O12: A DFT investigation

Unraveling the effects of metal incorporation in cubic perovskite SrCoO3 by partially replacing Co atoms

Electronic phase transition and enhanced optoelectronic performance of lead-free halide perovskites AGeI3 (A = Rb, K) under pressure

Influence of spin–orbit coupling and biaxial strain on the inorganic lead iodide perovskites, APbI3 (A = K, Rb, and Cs)

Structural, mechanical, thermal, and optical properties of inverse-Heusler alloys Cr2CoZ (Z = Al, In): A first-principles investigation

First-principles calculations to investigate pressure-driven electronic phase transition of lead-free halide perovskites KMCl3 (M = Ge, Sn) for superior optoelectronic performance

Effect of boron incorporation into the carbon-site in Nb2SC MAX phase: Insights from DFT

Red shift of lead-free halide perovskite RbCaCl 3 under pressure for enhancing optoelectronic performance

Exploration of the physical properties of the newly synthesized kagome superconductor LaIrGa using different exchange-correlation functionals

Comprehensive first-principles calculations on physical properties of ScV2Ga4 and ZrV2Ga4 in comparison with superconducting HfV2Ga4

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