First-principles phase transition and equation of state of titanium

Solid State Communications

Volumn 146, Issue 3-4, 2008, Pages 105-109

  Hao, Yan Jun ^a,b   Zhang, Lin ^a   Chen, Xiang Rong ^b,c   Li, Ying Hua ^a   He, Hong Liang ^a  

^a RESEARCH CENTER OF LASER FUSION   (China)

^b SICHUAN UNIVERSITY   (China)

^c INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

A. Ti; D. Equation of state; D. Phase transition

Indexed keywords

APPROXIMATION THEORY; GEOMETRY; HYDROSTATIC PRESSURE; OPTIMIZATION; TITANIUM CARBIDE;

GENERALIZED GRADIENT APPROXIMATION (GGA); PERDEW-BURKE-ERNZERHOF (PBE);

PHASE TRANSITIONS;

EID: 40849097285     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2008.02.012     Document Type: Article

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