Shabir Ahmad Mir

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Publications (13)

• Assessing half-Heusler alloys PtNbZ (Z=Al, Ga, In) via DFT: acceptability for thermoelectric applications
  RSC Advances 2025 DOI: 10.1039/D5RA06109A
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• Tantalum half-Heusler alloys RbTaSi and RbTaGe: potential candidates for desirable thermoelectric and spintronic applications
  RSC Advances 2023 DOI: 10.1039/D3RA00146F
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• Investigating the magneto‐electronic, structural, mechanical, and thermodynamic properties of filled skutterudite NdRu4Sb12 and EuRu4Sb12: A first‐principles perspective
  International Journal of Quantum Chemistry 2022 DOI: 10.1002/qua.26834
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• Structural and mechanical stabilities, electronic, magnetic and thermophysical properties of double perovskite Ba 2 LaNbO 6 : Probed by DFT computation
  International Journal of Energy Research 2021 DOI: 10.1002/er.6720
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• Understanding the origin of semiconducting ferromagnetic character along with the high figure of merit in Cs2NaMCl6 (M = Cr, Fe) double perovskites
  Journal of Magnetism and Magnetic Materials 2021 DOI: 10.1016/j.jmmm.2020.167431
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• Analysis of cage structured halide double perovskites Cs2NaMCl6 (M = Ti, V) by spin polarized calculations
  Journal of Alloys and Compounds 2020 DOI: 10.1016/j.jallcom.2020.156000
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• Exploration of uranium double perovskites Ba2MUO6 (M = Co, Ni) for magnetism, spintronic and thermoelectric applications
  Journal of Magnetism and Magnetic Materials 2020 DOI: 10.1016/j.jmmm.2019.165722
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• Investigation of structural, electro-magnetic properties of 5f-electron system Cs2NaBkCl6
  DAE SOLID STATE PHYSICS SYMPOSIUM 2019 2020 DOI: 10.1063/5.0017121
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• New ferromagnetic half-metallic perovskites for spintronic applications: BaMO3 (M = Mg and Ca)
  RSC Advances 2020 DOI: 10.1039/D0RA06739C
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• Systematic investigation of the magneto-electronic structure and optical properties of new halide double perovskites Cs2NaMCl6 (M = Mn, Co and Ni) by spin polarized calculations
  RSC Advances 2020 DOI: 10.1039/D0RA02817G
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