First-principles calculations of structural, elastic and electronic properties of Nb 2SnC under pressure

Computational Materials Science

Volumn 55, Issue , 2012, Pages 142-146

  Romero, M ^a   Escamilla, R ^a  

^a INSTITUTO DE INVESTIGACIONES EN MATERIALES   (Mexico)

Author keywords

Elastic constants; Electronic properties; First principle; High pressure; MAX phases

Indexed keywords

DENSITY OF STATE; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; HIGH PRESSURE; MAX-PHASES; PLANE-WAVE PSEUDO-POTENTIAL; PRESSURE INCREASE;

CALCULATIONS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; FERMI LEVEL;

ELECTRONIC PROPERTIES;

EID: 84855791264     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.11.038     Document Type: Article

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