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

Abstract

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.

Authors:

Shanavas, K. V. ^[1]

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

Publication Date:: Wed Aug 27 00:00:00 EDT 2014

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

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

OSTI Identifier:: 1336583

Alternate Identifier(s):: OSTI ID: 1249752

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

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Electron Spectroscopy and Related Phenomena

Additional Journal Information:: Journal Volume: 201; Journal ID: ISSN 0368-2048

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Rashba; First-principles; DFT; Tight-binding; Polar perovskites

Citation Formats


                    Shanavas, K. V. Overview of theoretical studies of Rashba effect in polar perovskite surfaces.  United States: N. p., 2014. 
Web.  doi:10.1016/j.elspec.2014.08.005.

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                    Shanavas, K. V. Overview of theoretical studies of Rashba effect in polar perovskite surfaces.  United States.  https://doi.org/10.1016/j.elspec.2014.08.005

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                    Shanavas, K. V. Wed .  
"Overview of theoretical studies of Rashba effect in polar perovskite surfaces".  United States.  https://doi.org/10.1016/j.elspec.2014.08.005.  https://www.osti.gov/servlets/purl/1336583.

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@article{osti_1336583,

  title        = {Overview of theoretical studies of Rashba effect in polar perovskite surfaces},

  author       = {Shanavas, K. V.},

  abstractNote = {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.},

  doi          = {10.1016/j.elspec.2014.08.005},

  journal      = {Journal of Electron Spectroscopy and Related Phenomena},

  number       = ,

  volume       = 201,

  place        = {United States},

  year         = {Wed Aug 27 00:00:00 EDT 2014},

  month        = {Wed Aug 27 00:00:00 EDT 2014}

}

Copy to clipboard

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

Abstract

Citation Formats

Interface takes charge over Si Oxide electronics journal, March 2011

Origin and transport signatures of spin-orbit interactions in one- and two-dimensional SrTiO 3 -based heterostructures journal, June 2013

Theory of t 2 g electron-gas Rashba interactions journal, July 2013

Strong Spin-Orbit Splitting on Bi Surfaces journal, July 2004

Structural Basis for the Conducting Interface between LaAlO3 and SrTiO3 journal, October 2007

s p -band tight-binding model for the Bychkov-Rashba effect in a two-dimensional electron system including nearest-neighbor contributions from an electric field journal, August 2012

Subband Structure of a Two-Dimensional Electron Gas Formed at the Polar Surface of the Strong Spin-Orbit Perovskite KTaO 3 journal, March 2012

Quantum Spin Hall Effect in Graphene journal, November 2005

A simple tight-binding model of spin–orbit splitting of sp-derived surface states journal, July 2000

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Tight-binding theory of the spin-orbit coupling in graphene journal, December 2010

Intrinsic Instability of Electronic Interfaces with Strong Rashba Coupling journal, November 2012

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Experimental Evidence of Cubic Rashba Effect in an Inversion-Symmetric Oxide journal, May 2012

Large Tunable Rashba Spin Splitting of a Two-Dimensional Electron Gas in Bi 2 Se 3 journal, August 2011

Watch out for the lack of oxygen journal, July 2007

Why some interfaces cannot be sharp journal, January 2006

Spin Splitting of an Au(111) Surface State Band Observed with Angle Resolved Photoelectron Spectroscopy journal, October 1996

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Ab initiomolecular dynamics for liquid metals journal, January 1993

Electric Field Tuning of the Rashba Effect in the Polar Perovskite Structures journal, February 2014

Theory of spin-orbit coupling at LaAlO 3 /SrTiO 3 interfaces and SrTiO 3 surfaces journal, April 2013

A Note on the Quantum‐Mechanical Perturbation Theory journal, November 1951

Giant Rashba-type spin splitting in bulk BiTeI journal, June 2011

Tunable Rashba Spin-Orbit Interaction at Oxide Interfaces journal, March 2010

Origin of the Two-Dimensional Electron Gas Carrier Density at the LaAlO3onSrTiO3 Interface journal, December 2008

Tuning Spin-Orbit Coupling and Superconductivity at the SrTiO 3 / LaAlO 3 Interface: A Magnetotransport Study journal, March 2010

Interface takes charge over Si Oxide electronics
journal, March 2011

Origin and transport signatures of spin-orbit interactions in one- and two-dimensional SrTiO $_{3}$ -based heterostructures
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Theory of $t_{2 g}$ electron-gas Rashba interactions
journal, July 2013

Strong Spin-Orbit Splitting on Bi Surfaces
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Structural Basis for the Conducting Interface between ${LaAlO}_{3}$ and ${SrTiO}_{3}$
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s p -band tight-binding model for the Bychkov-Rashba effect in a two-dimensional electron system including nearest-neighbor contributions from an electric field
journal, August 2012

Subband Structure of a Two-Dimensional Electron Gas Formed at the Polar Surface of the Strong Spin-Orbit Perovskite ${KTaO}_{3}$
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Quantum Spin Hall Effect in Graphene
journal, November 2005

A simple tight-binding model of spin–orbit splitting of sp-derived surface states
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Tight-binding theory of the spin-orbit coupling in graphene
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Intrinsic Instability of Electronic Interfaces with Strong Rashba Coupling
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