The incorporation of Cadium, Manganese and Ferrous Iron in Sphalerite: Insights from Computer Simulations

The incorporation of Cadium, Manganese and Ferrous Iron in Sphalerite: Insights from Computer Simulations

Techniques of atomistic simulation have been used to study the incorporation of the M2+ impurities iron, manganese and cadmium into sphalerite. The calculations show that bulk impurity ions are most easily incorporated by direct substitution at the Zn site, and that the substitution energies exhibit...

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Bibliographic Details
Main Author: Wright, Kathleen
Format: Journal Article
Published: The Mineralogical Association of Canada 2009
Subjects:
ZnS
surface
impurities
computer simulation
Sphalerite
Online Access:http://hdl.handle.net/20.500.11937/34461

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