Temperature-Dependent Band Structure of SrTiO Interfaces
arXiv:1609.07223 · doi:10.1103/PhysRevB.95.054106
Abstract
We build a theoretical model for the electronic properties of the two-dimensional (2D) electron gas that forms at the interface between insulating SrTiO and a number of polar cap layers, including LaTiO, LaAlO, and GdTiO. The model treats conduction electrons within a tight-binding approximation, and the dielectric polarization via a Landau-Devonshire free energy that incorporates strontium titanate's strongly nonlinear, nonlocal, and temperature-dependent dielectric response. The self-consistent band structure comprises a mix of quantum 2D states that are tightly bound to the interface, and quasi-three-dimensional (3D) states that extend hundreds of unit cells into the SrTiO substrate. We find that there is a substantial shift of electrons away from the interface into the 3D tails as temperature is lowered from 300 K to 10 K. This shift is least important at high electron densities ( cm), but becomes substantial at low densities; for example, the total electron density within 4~nm of the interface changes by a factor of two for 2D electron densities cm. We speculate that the quasi-3D tails form the low-density high-mobility component of the interfacial electron gas that is widely inferred from magnetoresistance measurements.
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