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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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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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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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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

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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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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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, 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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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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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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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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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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Nature of the enhanced resonant modes in one-dimensional photonic random dimer systems

Journal of optics. A, Pure and applied optics, 2009-12, Vol.11 (12), p.125102-125102

2009

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Search for half-metallic ferromagnetism in orthorhombic Ce(Fe/Cr)O3 perovskites

Solid state communications, 2016-02, Vol.228, p.36-42

2016

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Full Heusler alloys, with high absorption coefficient, insight into the optical properties of Li2CaC and Li2SrC

Solid state communications, 2021-04, Vol.328, p.114238, Article 114238

2021

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A DFT study of new full Heusler compound Li2MgC insights into the structural, electronic and thermoelectric properties: A high efficiency performance thermoelectric material

Chemical physics letters, 2023-03, Vol.814, p.140352, Article 140352

2023

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Effect of Coulomb interactions and Hartree-Fock exchange on structural, elastic, optoelectronic and magnetic properties of Co2MnSi Heusler: A comparative study

Journal of magnetism and magnetic materials, 2016-12, Vol.419, p.74-83

2016

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Optoelectronic properties of germanium iodide perovskites AGeI{sub 3} (A = K, Rb and Cs): first principles investigations

Optical and quantum electronics, 2019-07, Vol.51 (7)

2019

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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

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

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

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

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

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

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

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

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

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

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

Nature of the enhanced resonant modes in one-dimensional photonic random dimer systems

Search for half-metallic ferromagnetism in orthorhombic Ce(Fe/Cr)O3 perovskites

Full Heusler alloys, with high absorption coefficient, insight into the optical properties of Li2CaC and Li2SrC

A DFT study of new full Heusler compound Li2MgC insights into the structural, electronic and thermoelectric properties: A high efficiency performance thermoelectric material

Effect of Coulomb interactions and Hartree-Fock exchange on structural, elastic, optoelectronic and magnetic properties of Co2MnSi Heusler: A comparative study

Optoelectronic properties of germanium iodide perovskites AGeI{sub 3} (A = K, Rb and Cs): first principles investigations

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