Yashi Jain

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Publications (7)

• First-principles calculations to investigate electronic, magnetic and thermoelectric properties of Ru2FeAs and Ru2FeP full-Heusler compounds
  Indian Journal of Physics 2025 DOI: 10.1007/s12648-024-03542-4
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• Pressure-induced band gap enhancement and temperature-dependent thermoelectric characterization of semiconducting Transition Metal Chalcogenides LiMS (M = Cu, Ag)
  Materials Science in Semiconductor Processing 2025 DOI: 10.1016/j.mssp.2024.109030
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• Insight view of thermal, mechanical and structural behavior of novel double perovskites Ba2XSbO6 (X = Sc, Y): A DFT based study
  Computational Condensed Matter 2024 DOI: 10.1016/j.cocom.2024.e00949
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• Investigation of thermoelectric response, mechanical stability and thermodynamic behavior of Sr2MgPdO6 and Sr2MgPtO6 double perovskites: A DFT insights
  Physica B: Condensed Matter 2023 DOI: 10.1016/j.physb.2023.415094
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• Analysing the structural, mechanical and thermal stability in lithium-based half-Heusler compounds LiAlSi and LiAlGe: a first-principles study
  Bulletin of Materials Science 2023 DOI: 10.1007/s12034-023-02956-w
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• Confirming the structural stability and reaching the depth of quaternary Heusler alloys LiMgAgZ (Z = Al, Ga) for thermoelectric device applications: A first-principles study
  Materials Science and Engineering: B 2023 DOI: 10.1016/j.mseb.2023.116868
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• Structural, mechanical, electronic, vibrational and thermoelectric properties of novel double perovskites Ba2MgPdO6 and Ba2MgPtO6 within DFT framework
  Materials Science in Semiconductor Processing 2023 DOI: 10.1016/j.mssp.2023.107381
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