Spontaneous 2-Dimensional Carrier Confinement at the n-Type SrTiO3/LaAlO3 Interface

DELUGAS, PIETRO DAVIDE;FILIPPETTI, ALESSIO;FIORENTINI, VINCENZO;Bilc DI;Fontaine D;Ghosez P.

2011-01-01

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Abstract

We describe the intrinsic mechanism of 2-dimensional electron confinement at the n-type SrTiO3/LaAlO3 interface as a function of the sheet carrier density n(s) via advanced first-principles calculations. Electrons localize spontaneously in Ti 3d(xy) levels within a thin (less than or similar to 2 nm) interface-adjacent SrTiO3 region for n(s) lower than a threshold value n(c) similar to 10(14) cm(-2). For n(s) > n(c) a portion of charge flows into Ti 3d(xz)-d(yz) levels extending farther from the interface. This intrinsic confinement can be attributed to the interface-induced symmetry breaking and localized nature of Ti 3d t(2g) states. The sheet carrier density directly controls the binding energy and the spatial extension of the conductive region. A direct, quantitative relation of these quantities with n(s) is provided.