High-pressure phases of MgSiN2 from first-principles calculations

Applied Physics A: Materials Science and Processing

Volumn 78, Issue 5, 2004, Pages 717-719

  Fang, C M ^a   Hintzen, H T ^a   De With, G ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NITRIDES; PRESSURE EFFECTS; PROBABILITY DENSITY FUNCTION; TERNARY SYSTEMS;

BRILLOUIN ZONE (BZ); DENSITY FUNCTIONAL APPROXIMATION (DFT); FIRST PRINCIPLES CALCULATIONS; LOCAL DENSITY APPROXIMATION (LDA);

MAGNESIUM COMPOUNDS;

EID: 18844364427     PISSN: 09478396     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00339-002-1985-4     Document Type: Article

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