First-principles study of the pressure-induced rutile-CaCl2 phase transition in MgF2

Solid State Communications

Volumn 145, Issue 5-6, 2008, Pages 283-287

  Zhang, Lijun ^a   Wang, Yanchao ^a   Cui, Tian ^a   Ma, Yanming ^a   Zou, Guangtian ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

A. Insulators; C. Crystal structure and symmetry; D. Phase transitions; D. Phonons

Indexed keywords

CRYSTAL SYMMETRY; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; LATTICE CONSTANTS; MAGNESIUM COMPOUNDS; PHASE TRANSITIONS; PHONONS;

CELL VOLUME; DYNAMICAL INSTABILITY;

CALCIUM CHLORIDE;

EID: 37349009281     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2007.11.007     Document Type: Article

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