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Thermoelectric, Structural, Optoelectronic and Magnetic properties of double perovskite Sr2CrTaO6: First principle Study

Materials science & engineering. B, Solid-state materials for advanced technology, 2019-06, Vol.245, p.68-74

2019

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Half-metallic ferromagnetism in PrMnO3 perovskite from first principles calculations

Solid state communications, 2013-08, Vol.168, p.6-10

2013

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Ab initio exploration of A2AlAgCl6 (A = Rb, Cs): unveiling potentials for UV optoelectronic applications

Journal of molecular modeling, 2024-06, Vol.30 (6), p.195

2024

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High Spin Polarization and Thermoelectric Efficiency of Half-Metallic Ferromagnetic CrYSn (Y=Ca, Sr) of Half-Heusler Compounds

Spin (World Scientific (Firm)), 2020-06, Vol.10 (2)

2020

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Investigating the multifaceted characteristics of Ba2FeWO6 double perovskite: Insights from density functional theory

Journal of molecular graphics & modelling, 2024-11, Vol.132, p.108834, Article 108834

2024

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New p-type sp-based half-Heusler compounds LiBaX(X = Si, Ge) for spintronics and thermoelectricity via ab-initio calculations

Journal of computational electronics, 2021-06, Vol.20 (3), p.1072-1082

2021

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Investigating the physical and optoelectronic characteristics of Co2ZrZ compounds: findings from computational analysis and thermoelectric evaluation

Journal of molecular modeling, 2024-04, Vol.30 (4), p.110-110, Article 110

2024

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The effect of 3d states on band structure feature, optical and magnetic properties of TM-doped CdS: a theoretical insights

Indian journal of physics, 2022-04, Vol.96 (5), p.1381-1392

2022

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Predictive study of the new double Half-Heusler compounds Hf2FeNiSb2, Nb2Co2GaSb and ScNbCo2Sb2, promising candidates for thermoelectric applications

Indian journal of physics, 2024, Vol.98 (9), p.3121-3129

2024

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Innovative double perovskite: unveiling the dynamical stability, optoelectronic, magnetic and transport properties of Ba2CrWO6 for thermoelectric and optical applications

Optical and quantum electronics, 2024-09, Vol.56 (9), Article 1532

2024

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Electronic, elastic, and thermodynamic properties of Cd0.75TM0.25S (TM = Os or Ir) alloys with the TB-mBJ approach and hybrid density functional (HSE06)

Indian journal of physics, 2024-03, Vol.98 (3), p.921-935

2024

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Structural, magnetic, and optoelectronic properties of new ferromagnetic semiconductors Cd0.75Os0.25S and Cd0.75Ir0.25S: Insight from DFT computations

Optical and quantum electronics, 2022-11, Vol.54 (11), Article 716

2022

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Ab-initio study of magnetic, electronic and optical properties of ZnSe doped-transition metals

Materials science in semiconductor processing, 2013-04, Vol.16 (2), p.231-237

2013

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Ab initio prediction of the structural, optoelectronic and thermoelectric properties of double half-Heusler (DHH) ScXRh2Bi2 (X = Nb, Ta) alloys DFT study results

Indian journal of physics, 2024, Vol.98 (9), p.3141-3154

2024

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Elastic, magnetic and electronic properties of ferrimagnetic double perovskite Sr2MnWO6 using GGA + U and mBJ-GGA

Applied physics. A, Materials science & processing, 2018-09, Vol.124 (9), p.1-5, Article 622

2018

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GGA + U Study of Electronic and Magnetic Properties of Pr(Fe/Cr)O3 Cubic Perovskites

Journal of superconductivity and novel magnetism, 2017-09, Vol.30 (9), p.2581-2590

2017

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Structural, electronic, magnetic and thermodynamic properties of the new multifunctional half-Heusler alloy CoTcSn: Half-metallic and ferromagnetic behaviour

Pramāṇa, 2021-06, Vol.95 (2), Article 95

2021

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Electronic structure, mechanical and thermoelectric properties of the full Heusler Ba2AgZ (Z = Bi, Sb) alloys: insights from DFT study

Indian journal of physics, 2021-12, Vol.95 (12), p.2675-2686

2021

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Effect of the aluminium concentration on the resonant tunnelling time and the laser wavelength of random trimer barrier AlxGa1−xAs superlattices

Physica. B, Condensed matter, 2014-09, Vol.449, p.150-154

2014

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Optoelectronic properties of germanium iodide perovskites AGeI3 (A = K, Rb and Cs): first principles investigations

Optical and quantum electronics, 2019-07, Vol.51 (7), p.1-14, Article 234

2019

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First-principles calculations of magnetic, electronic and optical properties of binary GaN and ternary CrGaN, CuGaN

Computational materials science, 2013-04, Vol.70, p.19-23

2013

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Influence of Ni–Ni separation on the optoelectronic and magnetic properties of Ni-doped cubic cadmium sulphide

Materials science in semiconductor processing, 2014-01, Vol.17, p.53-58

2014

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Suppression of the singularly localized states in dimer quasiperiodic Fibonacci superlattices

Solid state communications, 2010-05, Vol.150 (17), p.865-869

2010

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Study of electronic and magnetic properties of binary zinc sulfide and ternary manganese- and iron-substituted alloys

Materials science in semiconductor processing, 2013-06, Vol.16 (3), p.576-581

2013

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Ab-initio study of optoelectronic and magnetic properties of the orthorhombic NdMnO3 perovskite

Solid state communications, 2015-04, Vol.207, p.9-15

2015

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Thermoelectric, Structural, Optoelectronic and Magnetic properties of double perovskite Sr2CrTaO6: First principle Study

Half-metallic ferromagnetism in PrMnO3 perovskite from first principles calculations

Ab initio exploration of A2AlAgCl6 (A = Rb, Cs): unveiling potentials for UV optoelectronic applications

High Spin Polarization and Thermoelectric Efficiency of Half-Metallic Ferromagnetic CrYSn (Y=Ca, Sr) of Half-Heusler Compounds

Investigating the multifaceted characteristics of Ba2FeWO6 double perovskite: Insights from density functional theory

New p-type sp-based half-Heusler compounds LiBaX(X = Si, Ge) for spintronics and thermoelectricity via ab-initio calculations

Investigating the physical and optoelectronic characteristics of Co2ZrZ compounds: findings from computational analysis and thermoelectric evaluation

The effect of 3d states on band structure feature, optical and magnetic properties of TM-doped CdS: a theoretical insights

Predictive study of the new double Half-Heusler compounds Hf2FeNiSb2, Nb2Co2GaSb and ScNbCo2Sb2, promising candidates for thermoelectric applications

Innovative double perovskite: unveiling the dynamical stability, optoelectronic, magnetic and transport properties of Ba2CrWO6 for thermoelectric and optical applications

Electronic, elastic, and thermodynamic properties of Cd0.75TM0.25S (TM = Os or Ir) alloys with the TB-mBJ approach and hybrid density functional (HSE06)

Structural, magnetic, and optoelectronic properties of new ferromagnetic semiconductors Cd0.75Os0.25S and Cd0.75Ir0.25S: Insight from DFT computations

Ab-initio study of magnetic, electronic and optical properties of ZnSe doped-transition metals

Ab initio prediction of the structural, optoelectronic and thermoelectric properties of double half-Heusler (DHH) ScXRh2Bi2 (X = Nb, Ta) alloys DFT study results

Elastic, magnetic and electronic properties of ferrimagnetic double perovskite Sr2MnWO6 using GGA + U and mBJ-GGA

GGA + U Study of Electronic and Magnetic Properties of Pr(Fe/Cr)O3 Cubic Perovskites

Structural, electronic, magnetic and thermodynamic properties of the new multifunctional half-Heusler alloy CoTcSn: Half-metallic and ferromagnetic behaviour

Electronic structure, mechanical and thermoelectric properties of the full Heusler Ba2AgZ (Z = Bi, Sb) alloys: insights from DFT study

Effect of the aluminium concentration on the resonant tunnelling time and the laser wavelength of random trimer barrier AlxGa1−xAs superlattices

Optoelectronic properties of germanium iodide perovskites AGeI3 (A = K, Rb and Cs): first principles investigations

First-principles calculations of magnetic, electronic and optical properties of binary GaN and ternary CrGaN, CuGaN

Influence of Ni–Ni separation on the optoelectronic and magnetic properties of Ni-doped cubic cadmium sulphide

Suppression of the singularly localized states in dimer quasiperiodic Fibonacci superlattices

Study of electronic and magnetic properties of binary zinc sulfide and ternary manganese- and iron-substituted alloys

Ab-initio study of optoelectronic and magnetic properties of the orthorhombic NdMnO3 perovskite

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