Structural stability and electronic properties in Al2O 3-Cr2O3 mixed crystal

Journal of Crystal Growth

Volumn 362, Issue 1, 2013, Pages 42-44

  Kitaoka, Yukie ^a   Nakamura, Kohji ^a   Akiyama, Toru ^a   Ito, Tomonori ^a  

^a MIE UNIVERSITY   (Japan)

Author keywords

A1. Computer simulation; A1. Crystal structure; A1. Phase diagrams; B1. Oxides

Indexed keywords

ANTIBONDING; DISORDERED STATE; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; INTER-ATOMIC DISTANCES; MIXED CRYSTALS; STRUCTURAL STABILITIES;

ALUMINUM; COMPUTER SIMULATION; PHASE DIAGRAMS; PHASE SEPARATION; PHASE STABILITY;

ELECTRONIC PROPERTIES;

EID: 84870292147     PISSN: 00220248     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcrysgro.2011.12.091     Document Type: Conference Paper

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