First-principles investigation of Fe-doped MgSiO 3-ilmenite
First principles density functional theory and generalised gradient approximation (GGA) have been exploited to investigate Fe-doped ilmenite-type MgSiO 3 mineral. Strong electron correlation effects not included in a density-functional formalism are described by a Hubbard-type on-site Coulomb repuls...
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| 格式: | article |
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2012
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| 在線閱讀: | http://dspace.utpl.edu.ec/handle/123456789/19243 |
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