Atomistic simulation of the structure and elastic properties of pyrite (FeS2) as a function of pressure

Physics and Chemistry of Minerals

Volumn 30, Issue 10, 2003, Pages 615-619

  Sithole, H M ^a   Ngoepe, P E ^a,b   Wright, K ^c,d  

^a UNIVERSITY OF LIMPOPO   (South Africa)

^b Center for Scientific and Industrial Research National Laser Centre   (South Africa)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

^d DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

Author keywords

Computer simulation; High pressure; Pyrite

Indexed keywords

CHEMICAL BONDS; ELASTIC MODULI; ELASTICITY; HIGH PRESSURE EFFECTS;

ATOMISTIC SIMULATION; DIMER BONDS;

PYRITES;

CRYSTAL STRUCTURE; EXPERIMENTAL MINERALOGY; HIGH PRESSURE; IRON SULFIDE; PYRITE;

EID: 0345149391     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00269-003-0359-6     Document Type: Article

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