Narrow in-gap states in doped

Montserrat Casas-Cabanas (1) , Marion Frésard (2) , Ulrike Luders (2) , Raymond Fresard (2) , Cosima Schuster (2) , Udo Schwingenschlogl (3)

1 CRISMAT - Laboratoire de cristallographie et sciences des matériaux
2 Institut für Physik [Augsburg]
3 KAUST - King Abdullah University of Science and Technology [Saudi Arabia]

Based on XRD data testifying that the M ions occupy substitutional sites, transmittance measurement are discussed in comparison to electronic structure calculations for M-doped 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 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.

Domaines: Matériaux; Science des matériaux [cond-mat.mtrl-sci]

Montserrat Casas-Cabanas, Marion Frésard, Ulrike Luders, Raymond Fresard, Cosima Schuster, et al.. Narrow in-gap states in doped. Chemical Physics Letters, 2011, 515 (1-3), pp.29-31. ⟨10.1016/j.cplett.2011.09.001⟩. ⟨hal-02266511⟩