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...

• المؤلف الرئيسي: Stashans, A. (author)
• مؤلفون آخرون: Pinto, H. (author), Rivera, K. (author)
• التنسيق: article
• منشور في: 2012
• الموضوعات: Electronic and optical properties
• الوصول للمادة أونلاين: http://dspace.utpl.edu.ec/handle/123456789/19243