Structural and thermodynamic properties of wurtzite-type aluminium nitride from first-principles calculations

Chinese Physics

Volumn 16, Issue 12, 2007, Pages 3783-3789

  Wang, Yong Liang ^a   Ai, Qiong ^a   Chen, Xiang Rong ^a,b   Cai, Ling Cang ^c  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

^c RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Generalized gradient approximation (GGA); Thermodynamic property; W AlN

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; LATTICE CONSTANTS; MOLECULAR INTERACTIONS; THERMODYNAMIC PROPERTIES;

CAMBRIDGE SERIAL TOTAL ENERGY PACKAGE (CASTEP); GENERALIZED GRADIENT APPROXIMATION (GGA); QUASI-HARMONIC DEBYE MODELS;

ALUMINA;

EID: 37549067352     PISSN: 10091963     EISSN: 17414199     Source Type: Journal    
DOI: 10.1088/1009-1963/16/12/038     Document Type: Article

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