Overview of theoretical studies of Rashba effect in polar perovskite surfaces

Shanavas, K. V.

doi:10.1016/j.elspec.2014.08.005

Title: Overview of theoretical studies of Rashba effect in polar perovskite surfaces

Journal Article · Wed Aug 27 00:00:00 EDT 2014 · Journal of Electron Spectroscopy and Related Phenomena

DOI:https://doi.org/10.1016/j.elspec.2014.08.005· OSTI ID:1336583

Shanavas, K. V. ^[1]

Univ. of Missouri, Columbia, MO (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Here, theoretical studies with the help of first-principles electronic structure calculations and tight-binding based Hamiltonian models aimed to understand the Rashba effect in the 2D electron gas at the surfaces and interfaces of polar perovskite oxides are discussed. First-principles calculations on a slab of KTaO₃ show that the spin-splitting is orbital dependent and is greatly suppressed by the lattice relaxation close to the surface. However, the electron gas is amenable to tuning by external potentials perpendicular to the surface and can be used to control Rashba splitting. Construction of a minimal model Hamiltonian to study d orbitals under uniform electric field is explained. The potential introduces new matrix elements between orbitals by breaking the symmetry and distorting the lattice. When coupled with spin orbit interaction, this results in lifting the spin degeneracy.

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; FG02-00ER45818

OSTI ID:: 1336583

Alternate ID(s):: OSTI ID: 1249752

Journal Information:: Journal of Electron Spectroscopy and Related Phenomena, Vol. 201; ISSN 0368-2048

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 6 works

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71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
Rashba
First-principles
DFT
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Polar perovskites

Title: Overview of theoretical studies of Rashba effect in polar perovskite surfaces

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