Extreme pressure conditions of BaS based materials: Detailed study of structural changes, band gap engineering, elastic constants and mechanical properties

Extreme pressure conditions of BaS based materials: Detailed study of structural changes, band gap engineering, elastic constants and mechanical properties

A Density Functional Theory (DFT) study has been performed in order to investigate behaviour of barium sulfide (BaS) at high pressures, and relationship between computed properties, in great detail. Novel predicted and previously synthesized BaS modifications have been calculated using Local Density...

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Bibliographic Details
Main Authors: Dejan Zagorac, Jelena Zagorac, Klaus Doll, Maria Čebela, Branko Matović
Format: Article
Language:English
Published: University of Novi Sad 2019-12-01
Series:Processing and Application of Ceramics
Subjects:
dft
mechanical properties
semiconductors
high pressure
barium sulphide
Online Access:http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2046%2009.pdf

Internet

http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2046%2009.pdf

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