Properties of RbHgF3 fluoro-perovskite under growing hydrostatic pressure from first-principles calculations

Mercury fluoro-perovskites based on Rubidium have a lot of technical relevance nowadays, especially in optical and semiconductive applications. A Cambridge Serial Total Energy Package code analysis using the Density Functional Theory was performed to calculate the structural, electronic, elastic, op...

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Autores principales: M. Atikur Rahman, Md. Majibul Haque Babu, Syeda Karimunnesa, Md. Ibrahim Kholil
Formato: article
Lenguaje:EN
Publicado: AIP Publishing LLC 2021
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Acceso en línea:https://doaj.org/article/7913ae6d85be49c88912befb5b1b360f
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