First-Principles Study of the Stabilization and Mechanical Properties of Rare-Earth Ferritic Perovskites (RFeO<sub>3</sub>, R = La, Eu, Gd)

First-Principles Study of the Stabilization and Mechanical Properties of Rare-Earth Ferritic Perovskites (RFeO<sub>3</sub>, R = La, Eu, Gd)

Current research aims to investigate the mechanical properties of rare earth perovskite ferrites (RFeO<sub>3</sub>, R = La, Eu, Gd) utilizing density functional theory (DFT) calculations. Using the revised Perdew–Burke–Ernzerhof approximation for solids (PBEsol) approximation, the elasti...

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Bibliographic Details
Main Authors:	Mahdi Faghihnasiri, Vahid Najafi, Farzaneh Shayeganfar, Ali Ramazani
Format:	Article
Language:	English
Published:	MDPI AG 2020-06-01
Series:	Applied Sciences
Subjects:	density functional theory quantum theory of atoms in molecules rare-earth ferritic perovskite mechanical properties sound velocity Debye temperature
Online Access:	https://www.mdpi.com/2076-3417/10/11/4008

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