Effect of transition metal (M) and M-C slabs on equilibrium properties of Al-containing MAX carbides: An ab initio study

Computational Materials Science

Volumn 91, Issue , 2014, Pages 28-37

  Bai, Yuelei ^a   He, Xiaodong ^a   Wang, Rongguo ^a   Wang, Shuai ^a   Kong, Fanyu ^a  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Bond angle; Bond length; Carbides; First principle; MAX phases

Indexed keywords

ATOMS; BOND LENGTH; CARBIDES; THREE DIMENSIONAL; TRANSITION METALS;

BOND ANGLE; EQUILIBRIUM PROPERTIES; FIRST PRINCIPLES; FORMATION ENERGIES; MAX PHASIS; THEORETICAL DENSITY; TOTAL DENSITY OF STATE; VALENCE ELECTRON CONCENTRATION;

ALUMINUM;

EID: 84900839977     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.04.033     Document Type: Article

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