Electronic and Magnetic Properties of the Interface LaAl/Ti Anatase from Density Functional Theory
Figure 2
Densities of states for the three slabs of Figure 1 in the LSDA+U approximation. (a) Top: LaO/TiO2, (b) middle: AlO2 hollow, (c) bottom: AlO2 bridge. The Fermi level () is marked by the dotted vertical line. Positive and negative values correspond to majority and minority spins, respectively. Left: total densities of states of the slabs and La levels. Right: partial DOS on the Ti atoms zoomed-in around . In the legend the numbers by the atoms indicate the number of planes away from the interface.
