Electronic basis of the hcp, omega and bcc phases in group IVB elements under pressure or on alloying

Solid State Communications

Volumn 156, Issue , 2013, Pages 80-84

  Gyanchandani, Jyoti ^a   Sikka, S K ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

A. Group IVB elements; B. DFT; D. Electronic basis; D. Phase transitions

Indexed keywords

B. DFT; BAND STRUCTURE ENERGY; BCC PHASIS; CRYSTAL FIELD EFFECTS; D. ELECTRONIC BASIS; ELECTRONIC TOPOLOGICAL TRANSITION; ENERGY DIFFERENCES; FIRST-PRINCIPLES DFT CALCULATIONS; STRUCTURAL STABILITIES; VAN HOVE SINGULARITIES;

DENSITY FUNCTIONAL THEORY; JAHN-TELLER EFFECT; STABILITY;

ALLOYING ELEMENTS;

EID: 84873572481     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2012.11.013     Document Type: Article

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