FIRST PRINCIPLE STUDY OF THE STRUCTURAL, ELECTRONIC, AND MECHANICAL PROPERTIES OF CUBIC FLUOROPEROVSKITES: (ZnXF3, X = Y, Bi)

Husain, M; Ahmad, MS; Rahman, N; Sajjad, M; Rauf, A; Habib, A; Ul Haq, M; Nisar, M; Hussain, A; Imran, M; Salahuddin

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

FLUORIDE, 2020; 53 (4): 657

Abstract

In the scheme of density functional theory (DFT) and by means of the full-potential linearized augmented plane wave process within the generalized gra......

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