Theoretical investigations on phase stability, elastic constants and electronic structures of D022- and L12-Al3Ti under high pressure

Journal of Alloys and Compounds

Volumn 556, Issue , 2013, Pages 214-220

  Li, Jian ^a,b   Zhang, Ming ^a   Luo, Xian ^b  

^a XI'AN SHIYOU UNIVERSITY   (China)

^b NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

Elastic constants; First principles; High pressure; Phase stability; Titanium trialuminide (Al3Ti)

Indexed keywords

ANISOTROPY INDICES; ATOMIC BONDING; DELOCALIZATIONS; EQUILIBRIUM STRUCTURES; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; HIGH PRESSURE; ORBITAL HYBRIDIZATION; THEORETICAL INVESTIGATIONS; TITANIUM TRI-ALUMINIDE;

ANISOTROPY; CALCULATIONS; DEBYE TEMPERATURE; ELASTIC CONSTANTS; ELECTRONIC STRUCTURE; PHASE STABILITY; TITANIUM;

ALUMINUM;

EID: 84872953290     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.12.135     Document Type: Article

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