Electronic and Magnetic Properties of the Interface LaAlO₃/TiO₂ Anatase from Density Functional Theory

Figure 3

LSDA+U charge density of states close to 𝐸_𝑓 in the plane defined by the Ti-Ti bonds for one unit cell. The occupied states in the energy range: [𝐸_𝑓−1.5 eV, 𝐸_𝑓] are plotted for the three structures in Figure 1, namely, (a) LaO/TiO₂, (b) AlO₂ hollow, and (c) AlO₂ bridge. Charge isolines are spaced 0.01, from 0.01 to 1.00. In each case, the Ti interfacial atom is placed at the center of the figure, so as to make them comparable.

(a)

(b)

(c)