DFT insights into the structural, mechanical, electronic, optical, and thermal properties of Cr2AC (A = Si, Al, Ga, Ge, and P) MAX phases carbides

This work examines the structural, electronic, mechanical, optical, and thermal properties of Cr2AC (A = Si, Al, Ga, Ge, and P) MAX phases using density functional theory. These properties are investigated through first-principles calculations within the generalized gradient approximation using the...

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Bibliographic Details

Published in:	AIP Advances
Main Authors:	Md. Nurul Amin, Abdulla Al Faysal, Ahmed Azzouz-Rached, Faisal Islam Chowdhury, Jamal Uddin, Join Uddin, Jahidul Islam, Ali Reza Piyal, Anjan Kumar Chowdhury, A. K. M. Rezaur Rahman
Format:	Article
Language:	English
Published:	AIP Publishing LLC 2024-12-01
Online Access:	http://dx.doi.org/10.1063/5.0234895