Modelling of neutral vacancies in forsterite mineral
Density functional theory and generalized gradient approximation have been employed to study Mg, Si and O vacancies in the Mg2SiO4 forsterite mineral. Microstructure of defect equilibrium geometries, electronic properties as well as chemical bonding in the region surrounding each one of the vacancie...
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2013
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| Online Zugang: | http://dspace.utpl.edu.ec/handle/123456789/19164 |
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