High-P, T phase relations in the NaAlSi 2O 6 system from first principles computation

Physics and Chemistry of Minerals

Volumn 39, Issue 4, 2012, Pages 305-310

  Kawai, Kenji ^a   Tsuchiya, Taku ^b  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b EHIME UNIVERSITY   (Japan)

Author keywords

CF phase; First principles; Jadeite; Phase transition; Thermodynamic property; Vibrational density of states

Indexed keywords

CALCIUM FERRITE; CLAPEYRON SLOPE; DENSITY FUNCTIONAL PERTURBATION THEORY; ELASTIC ANISOTROPY; EQUATION OF STATE; FIRST-PRINCIPLES; FUNCTION OF PRESSURE; JADEITE; T-PHASE; THERMAL CONTRIBUTIONS; THREE PHASIS; VIBRATIONAL DENSITY OF STATE;

ANISOTROPY; PHASE TRANSITIONS; SILICON COMPOUNDS; THERMODYNAMIC PROPERTIES;

DENSITY FUNCTIONAL THEORY;

ANISOTROPY; DENSITY; EQUATION OF STATE; EXPERIMENTAL STUDY; HELMHOLTZ EQUATION; HIGH PRESSURE; JADEITE; PHASE TRANSITION; STISHOVITE; THERMODYNAMIC PROPERTY;

EID: 84859006672     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-012-0485-0     Document Type: Article

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