First-principles study of structural stability, electronic and elastic properties of ZrC compounds

Physica B: Condensed Matter

Volumn 406, Issue 14, 2011, Pages 2750-2754

  Lv, Zengtao ^a   Hu, Haiquan ^a   Wu, Cheng ^a   Cui, Shouxin ^a   Zhang, Guiqing ^a   Feng, Wenxia ^a  

^a LIAOCHENG UNIVERSITY   (China)

Author keywords

Electronic properties; FP LAPW; Phase transitions; Spinorbit coupling

Indexed keywords

B1 PHASE; ELASTIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FP-LAPW; PSEUDO-GAP; SPIN-ORBIT COUPLINGS; STRUCTURAL CHANGE; STRUCTURAL PHASE TRANSITION; STRUCTURAL STABILITIES; TOTAL DENSITY OF STATE; TRANSITION PRESSURE;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELASTICITY; ELECTRONIC PROPERTIES; PHASE TRANSITIONS; SODIUM CHLORIDE; STABILITY;

ZIRCONIUM COMPOUNDS;

EID: 79957747148     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.04.020     Document Type: Article

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