First-principles energetics and structural relaxation of antigorite

American Mineralogist

Volumn 94, Issue 8-9, 2009, Pages 1271-1278

  Capitani, Gian Carlo ^a   Stixrude, Lars ^b   Mellini, Marcello ^c  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF SIENA   (Italy)

Author keywords

Antigorite; DFT; GGA; LDA

Indexed keywords

ATOMS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; KAOLINITE; SERPENTINE; SILICON; SILICON COMPOUNDS;

ANTIGORITE; ATOMIC DISPLACEMENT; COMPETING MODELS; COMPLEX STRUCTURE; EXCHANGE CORRELATIONS; EXPERIMENTAL VALUES; STRUCTURAL DETAILS; THEORETICAL METHODS;

MAGNESIUM COMPOUNDS;

ANTIGORITE; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; QUANTUM MECHANICS;

EID: 72949119613     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am.2009.3218     Document Type: Article

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