DOI: 10.1039/d6ma00949b ISSN: 2633-5409

Structural stability, electronic structure, and equation of state of rhombohedral perovskites AgMgX 3 (X = F, Cl, Br) under high pressure

Yu. N. Zhuravlev, Z. Y. Khattari

Using DFT, we systematically investigate the structural stability, electronic properties, elastic and vibrational characteristics of rhombohedral halide perovskites AgMgX 3 (X = F, Cl, Br) in the R 3 c space group up to P = 50 GPa.

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