First-principles calculations on bcc-hcp transition of titanium

Materials Science and Engineering: A

Volumn 312, Issue 1-2, 2001, Pages 77-83

  Nishitani, Shigeto R ^a   Kawabe, Hitoshi ^b   Aoki, Masato ^b  

^a KYOTO UNIVERSITY   (Japan)

^b GIFU UNIVERSITY   (Japan)

Author keywords

Bcc hcp transition; Finite temperature effect; Full potential linear muffin tin orbitals; Phonon; Titanium

Indexed keywords

ANISOTROPY; COMPUTATIONAL METHODS; POTENTIAL ENERGY; SURFACE STRUCTURE;

BODY CENTERED CUBIC (BCC) STRUCTURES; FIRST PRINCIPLES CALCULATIONS; GRADIENT CORRECTED FULL POTENTIAL LINEAR MUFFIN TIN ORBITALS; HEXAGONAL CLOSED PACK (HCP) STRUCTURES;

TITANIUM;

PHASE CHANGE;

EID: 0035882696     PISSN: 09215093     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0921-5093(00)01905-5     Document Type: Article

References (31)