First-principles studies on band structure and mechanical properties of BiFeO3 ceramics under high pressure

First-principles studies on band structure and mechanical properties of BiFeO3 ceramics under high pressure

Mechanical properties and band structure of rhombohedral BiFeO3 nanostructures were studied using density functional theory for different pressures in the range from 0 to 50GPa. The elastic constant of BiFeO3 nanoceramics was determined and different moduli were calculated for various applied pressu...

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Bibliographic Details
Main Authors: Ramanathan Chandiramouli, Veerappan Nagarajan
Format: Article
Language:English
Published: University of Novi Sad 2017-06-01
Series:Processing and Application of Ceramics
Subjects:
BiFeO3
nanostructure
first-principles studies
band gap
ductility
Poisson’s ratio
elastic constant
Online Access:http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2036%2007.pdf

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