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article · Computational Condensed Matter

Towards accurate prediction of the physical properties of bromide perovskites ASrBr <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si40.svg" display="inline" id="d1e893"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>3</mml:mn> </mml:mrow> </mml:msub> </mml:math> (A = Cs, K) using the meta-GGA functional

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Research topics

  • Heusler alloys: electronic and magnetic properties
  • Perovskite Materials and Applications
  • Thermal Expansion and Ionic Conductivity

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DOI: 10.1016/j.cocom.2025.e01165

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