First principles determination of elastic constants and chemical bonding of titanium boride (TiB) on the basis of density functional theory

Acta Materialia

Volumn 54, Issue 6, 2006, Pages 1641-1657

  Panda, K B ^a   Chandran, K S Ravi ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

Density functional; Elastic behavior; First principle electron theory; Full potential linear augmented plane wave; Titanium boride

Indexed keywords

ANISOTROPY; BORIDES; CHEMICAL BONDS; ELASTIC MODULI; POLYCRYSTALLINE MATERIALS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL; ELASTIC BEHAVIOR; FIRST-PRINCIPLE ELECTRON THEORY; FULL-POTENTIAL LINEAR AUGMENTED PLANE WAVE; TITANIUM BORIDE;

TITANIUM ALLOYS;

EID: 33244482818     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2005.12.003     Document Type: Article

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