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Computational Materials Science

Volumn 74, Issue , 2013, Pages 40-49

First principle calculations of MAX ceramics Cr2GeC, V 2GeC and their substitutional solid solutions

(3) Faraoun, H I a Abderrahim, F Z a Esling, C b

a UNIVERSITY OF TLEMCEN (Algeria)

b UNIVERSITÉ DE LORRAINE (France)

Author keywords

Ab initio calculations; MAX phases Cr2GeC; Structural and electronic properties; V2GeC and (Cr1 xVx)2 GeC

Indexed keywords

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL THEORIES (DFT); ELECTRONIC CHARGE DENSITY; FIRST PRINCIPLE CALCULATIONS; FULL POTENTIAL LINEAR AUGMENTED PLANE WAVES; MAX PHASIS; STRUCTURAL AND ELECTRONIC PROPERTIES; SUBSTITUTIONAL SOLID SOLUTIONS;

BAND STRUCTURE; CERAMIC MATERIALS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; MAGNETIC MOMENTS; SOLID SOLUTIONS;

STRUCTURAL CERAMICS;

EID: 84876111066 PISSN: 09270256 EISSN: None Source Type: Journal
DOI: 10.1016/j.commatsci.2013.03.005 Document Type: Article

Times cited : (14)

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