Defect properties of albite: a combined empirical potential and density functional theory study

Defect properties of albite: a combined empirical potential and density functional theory study

Knowledge of the defect properties of Lunar and Mercurian minerals has recently become important, with the advent of models which attempt to explain the formation of the thin exosphere of these celestial bodies. Here, we have calculated the formation energies of sodium and oxygen vacancies in the mi...

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Bibliographic Details
Main Authors: Lowitzer, S., Wilson, D., Winkler, B., Milman, V., Gale, Julian
Format: Journal Article
Published: Springer-Verlag 2008
Subjects:
Albite
First-principles calculations
Empirical potentials calculations
Point defects
Online Access:http://hdl.handle.net/20.500.11937/21802

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