k.p subband structure of the LaAlO3/SrTiO3 interface

Abstract

Heterostructures made of transition metal oxides are new tailor-made materials which are attracting much attention. We have constructed a 6-band k.p Hamiltonian and used it within the envelope function method to calculate the subband structure of a variety of LaAlO3/SrTiO3 heterostructures. By use of density functional calculations, we determine the k.p parameters describing the conduction band edge of SrTiO3: the three effective mass parameters, L=0.6104 eV AA^2, M=9.73 eV AA^2, N=-1.616 eV AA^2, the spin orbit splitting Delta_SO=28.5 meV and the low temperature tetragonal distortion energy splitting Delta_T=2.1 meV. For confined systems we find strongly anisotropic non-parabolic subbands. As an application we calculate bands, density of states and magnetic energy levels and compare the results to Shubnikov-de Haas quantum oscillations observed in high magnetic fields. For typical heterostructures we find that electric field strength at the interface of F = 0.1 meV/AA for a carrier density of 7.2 10^{12} cm^-2 results in a subband structure that is similar to experimental results.

8 pages, 7 figures

References in corpus (4)

• Magnetic effects at the interface between nonmagnetic oxides
• Theory of spin-orbit coupling at LaAlO3/SrTiO3 interfaces and SrTiO3 surfaces
• Theory of t2g electron-gas Rashba interactions
• Structural Phase Transitions of the Metal Oxide Perovskites SrTiO3, LaAlO3 and LaTiO3 Studied with a Screened Hybrid Functional

Cited by in corpus (18)

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• Semiclassical theory of anisotropic transport at LaAlO3/SrTiO3 interfaces under in-plane magnetic field
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• Theoretical models of Rashba spin splitting in asymmetric SrTiO3-based heterostructures
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