QTNano - Cubic-to-hexagonal structural phase transition in metal halide compounds: a DFT study, Journal of Materials Chemistry A, 12, 21, 12564-12580 (2024)

Published: 2 February 2026| Version 1 | DOI: 10.17632/w8f9bsdsxt.1
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Description

Raw data supporting the reproducibility of this study. See the associated publication: J. Mater. Chem. A 12, 21, 12564-12580 (2024). DOI: https://doi.org/10.1039/D3TA06604E.

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Institutions

  • Universidade de Sao Paulo Instituto de Quimica de Sao Carlos
    São Paulo, Sao Carlos
  • Universidade Federal de Sao Carlos Departamento de Fisica
    São Paulo, Sao Carlos

Categories

Electronic Structure of Bulk Materials, Metal Halide, Perovskite, Crystal Structure of Perovskites, Electronic Structure Calculation

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