Correlations of the Electronic, Elastic and Thermo-Electric Properties of Alpha Copper Sulphide and Selenide

Correlations of the Electronic, Elastic and Thermo-Electric Properties of Alpha Copper Sulphide and Selenide

A full potential all-electron density functional method within generalized gradient approximation is used herein to investigate correlations of the electronic, elastic and thermo-electric transport properties of cubic copper sulphide and copper selenide. The electronic band structure and density of...

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Bibliographic Details
Main Authors: Moshibudi Ramoshaba, Thuto Mosuang
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:Computation
Subjects:
CuS
CuSe
density functional theory
electronic structure
elastic constants
transport properties
Online Access:https://www.mdpi.com/2079-3197/11/11/233

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