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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Príomhchruthaitheoir: Stashans, A. (author)
Rannpháirtithe: Pinto, H. (author), Rivera, K. (author)
Formáid: article
Foilsithe / Cruthaithe: 2012
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Rochtain ar líne:http://dspace.utpl.edu.ec/handle/123456789/19243
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