Theory of spin-orbit coupling at LaAlO 3 /SrTiO 3 interfaces and SrTiO 3 surfaces

By Z. Zhong, A. Tóth, K. Held. 2012

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The theoretical understanding of the spin-orbit coupling (SOC) effects at LaAlO$_{3}$/SrTiO$_{3}$ interfaces and SrTiO$_{3}$ surfaces is still in its infancy. We perform first-principles density-functional-theory calculations and derive from these a simple tight-binding Hamiltonian, through a Wannier function projection and group theoretical analysis. We find striking differences to the standard Rashba theory for spin-orbit coupling in semiconductor heterostructures due to multi-orbital effects: by far the biggest SOC effect is at the crossing point of the $xy$ and $yz$ (or $zx$) orbitals; and around the $\Gamma$ point a Rashba spin splitting with a cubic dependence on the wave vector $\vec{k}$ is possible.

Subfields: Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/f420a3995f32a50e7c62482011370633312c2612

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