Theoretical study of cubic Rashba effect at SrTiO3 (001) surfaces

Shanavas, Kavungal Veedu

doi:10.1103/PhysRevB.93.045108

Title: Theoretical study of cubic Rashba effect at SrTiO₃ (001) surfaces

Journal Article · Mon Jan 11 00:00:00 EST 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.93.045108· OSTI ID:1235844

Shanavas, Kavungal Veedu ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

The origin of Rashba spin splitting in the two-dimensional electron gas at the (001) surface of SrTiO₃ is studied using first-principles calculations and tight-binding model. Calculations of oxygen vacancies under virtual crystal approximation reveal a two-dimensional electron-gas subband structure similar to polar materials, consistent with observations on SrTiO₃. Our studies also confirm that k dependence of the spin splitting is predominantly cubic in the surface Ti–t_2g states, even though structural relaxations diminish the effect in d_xy bands. A tight-binding model, explicitly including Ti–d and O–p states as well as next-nearest-neighbor interactions, is derived to understand the first-principles results. Effective Rashba Hamiltonians for the surface bands are derived using quasidegenerate perturbation theory and scenarios in which linear k contribution may be suppressed are discussed. Furthermore, the cubic terms in the Hamiltonian are found to be different from the model derived using k ∙ p theory, leading to different pseudospin symmetry in the Brillouin zone.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1235844

Alternate ID(s):: OSTI ID: 1234307; OSTI ID: 1336595

Journal Information:: Physical Review B, Vol. 93, Issue 4; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 27 works

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Interface-based tuning of Rashba spin-orbit interaction in asymmetric oxide heterostructures with 3d electrons Lin, Weinan; Li, Lei; Doğan, Fatih Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-10961-z	journal	July 2019
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Rashba-like spin-orbit and strain effects in tetragonal ${PbTiO}_{3}$ Arras, R.; Gosteau, J.; Zhao, H. J. Physical Review B, Vol. 100, Issue 17 https://doi.org/10.1103/physrevb.100.174415	journal	November 2019
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