First-principles calculations of the thermodynamic mixing properties of arsenic incorporation into pyrite and marcasite

Chemical Geology

Volumn 225, Issue 3-4, 2006, Pages 278-290

  Reich, Martin ^a,b   Becker, Udo ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

^b DEPARTAMENTO DE FÍSICA   (Chile)

Author keywords

Arsenian pyrite; First principles calculations; Monte Carlo simulations; Solid solution

Indexed keywords

ARSENIC; MARCASITE; PYRITE; SOLID SOLUTION; THERMODYNAMICS;

EID: 30744464088     PISSN: 00092541     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemgeo.2005.08.021     Document Type: Article

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