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...

Full description

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

Internet

https://www.mdpi.com/2076-3417/10/11/4008

Similar Items