THEORETICAL INVESTIGATION OF THE STRUCTURAL, ELECTRONIC, AND MECHANICAL PROPERTIES OF THE MAGNESIUM-BASED FLUOROPEROVSKITE COMPOUNDS XMgF3 (X= Ga, AI, In)

Rahman, N; Husain, M; Yang, J; Sajjad, M; Ahmad, MS; Habib, A; Rauf, A; Ul Haq, M; Saddique, J; Nisar, M; Shah, S; Zulfiqar; Maouche, C; Rehman, MU; Imran, M

Rahman, N; Yang, J (corresponding author), Jiangsu Univ, Sch Mat Sci & Engn, Zhenjiang 212013, Jiangsu, Peoples R China.

FLUORIDE, 2020; 53 (3): 542

Abstract

Ab initio investigations of the Mg-based fluoroperovskite XMgF3 (X = Ga, Al and In) compounds were calculated by using the full-potential linearized a......

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