First-principles prediction of high-pressure phase of CaC6

Chinese Physics Letters

Volumn 24, Issue 6, 2007, Pages 1668-1670

  Li, Yan ^a   Zhang, Li Jun ^a   Cui, Tian ^a   Liu, Yan Hui ^a   Ma, Yan Ming ^a   Zou, Guang Tian ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM COMPOUNDS; LATTICE THEORY; STRUCTURAL OPTIMIZATION; SUPERCONDUCTING TRANSITION TEMPERATURE;

DENSITY FUNCTIONALS; FIRST PRINCIPLES; FUNCTION OF PRESSURE; HIGH-PRESSURE PHASIS; PHONON MODE; PRESSURE-INDUCED PHASE TRANSITION; RESPONSE THEORY; STRUCTURAL OPTIMISATIONS; TRANSVERSE ACOUSTIC PHONONS; ZONE BOUNDARIES;

DENSITY FUNCTIONAL THEORY;

EID: 34249995203     PISSN: 0256307X     EISSN: 17413540     Source Type: Journal    
DOI: 10.1088/0256-307X/24/6/065     Document Type: Article

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