Atomic-scale studies of native point defect and nonstoichiometry in silicon oxynitride

Journal of Physics and Chemistry of Solids

Volumn 70, Issue 6, 2009, Pages 982-988

  Liu, B ^a,b   Wang, J Y ^a,c   Li, F Z ^a,b   Tong, Q F ^a,b   Zhou, Y C ^a  

^a INSTITUTE OF METAL RESEARCH   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

A. Ceramics; C. Ab initio calculation; D. Defects; D. Elastic properties

Indexed keywords

A. CERAMICS; ANTISITES; ATOMIC SCALE; ATOMISTIC SIMULATIONS; C. AB INITIO CALCULATION; D. DEFECTS; D. ELASTIC PROPERTIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIELECTRIC CONSTANTS; ELASTIC STIFFNESS; FIELD PARAMETERS; FORMATION ENERGIES; FRENKEL DEFECTS; INTERATOMIC POTENTIAL MODELS; INTRINSIC DISORDER; MOLECULAR DYNAMIC SIMULATIONS; NATIVE DEFECT; NON-STOICHIOMETRIC SI; NON-STOICHIOMETRY; REACTION ENERGY; SILICON OXYNITRIDE;

CERAMIC MATERIALS; CRYSTAL STRUCTURE; DEFECTS; DENSITY FUNCTIONAL THEORY; ELASTICITY; MOLECULAR DYNAMICS; OXYGEN; POINT DEFECTS; SILICON NITRIDE; SILICON OXIDES; STOICHIOMETRY;

SILICON;

EID: 67649313320     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2009.05.010     Document Type: Article

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