Schuster, Cosima B.
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Permanent link to this recordhttp://hdl.handle.net/10754/561893
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AbstractBased on XRD data testifying that the M ions occupy substitutional sites, transmittance measurement are discussed in comparison to electronic structure calculations for M-doped Al2O3 with M = V, Mn, and Cr. The M 3d states are found approximatively 2 eV above the top of the host valence band. The fundamental band gap of Al2O3 is further reduced in the V and Mn cases due to a splitting of the narrow band at the Fermi energy. Nevertheless the measured transmittance in the visible range remains high in all three cases. © 2011 Elsevier B.V. All rights reserved.
SponsorsWe thank S. Boudin for the help with the transmittance measurements, and W. Prellier for insightful discussions. M.C.C., M.F., U.L., and R.F. gratefully acknowledge the Region Basse-Normandie and the Ministere de la Recherche for financial support. C.S. thanks the Deutsche Forschungsgemeinschaft for financial support (TRR 80).
JournalChemical Physics Letters