DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Electronic structure and anomalous Hall effect in the ferromagnetic 3d-5d superlattice SrMnO3/SrIrO3

Abstract

The electronic structure and the anomalous Hall effect (AHE) at the recently grown 3 d - 5 d superlattice structure (SrMnO3)1 / (SrIrO3)1 are investigated theoretically using model and density-functional calculations. The observed ferromagnetism for the SMO layer, which becomes electron doped because of the charge transfer across the interface, is explained to be due to the Anderson-Hasegawa double exchange, while the SIO side becomes ferromagnetic due to the proximity effect and the Nagaoka physics of a hole-doped system. The broken time-reversal symmetry and the strong spin-orbit coupling in SIO provide the two essential ingredients for the AHE, which we describe within a square lattice model of d-orbitals relevant for the present structure. The model correctly predicts the order of magnitude of the anomalous Hall conductivity (AHC), which is computed using the Kubo formula. The density-functional results for the AHC are in good agreement with the experiments.

Authors:
ORCiD logo [1];  [1]
  1. Univ. of Missouri, Columbia, MO (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of Missouri, Columbia, MO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1577664
Alternate Identifier(s):
OSTI ID: 1546268
Grant/Contract Number:  
FG02-00ER45818
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 99; Journal Issue: 24; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Materials Science; Physics; Magnetism; Spin-orbit coupling; Interfaces; First-principles calculations; Tight-binding model

Citation Formats

Bhowal, Sayantika, and Satpathy, S. Electronic structure and anomalous Hall effect in the ferromagnetic 3d-5d superlattice SrMnO3/SrIrO3. United States: N. p., 2019. Web. doi:10.1103/physrevb.99.245145.
Bhowal, Sayantika, & Satpathy, S. Electronic structure and anomalous Hall effect in the ferromagnetic 3d-5d superlattice SrMnO3/SrIrO3. United States. https://doi.org/10.1103/physrevb.99.245145
Bhowal, Sayantika, and Satpathy, S. Tue . "Electronic structure and anomalous Hall effect in the ferromagnetic 3d-5d superlattice SrMnO3/SrIrO3". United States. https://doi.org/10.1103/physrevb.99.245145. https://www.osti.gov/servlets/purl/1577664.
@article{osti_1577664,
title = {Electronic structure and anomalous Hall effect in the ferromagnetic 3d-5d superlattice SrMnO3/SrIrO3},
author = {Bhowal, Sayantika and Satpathy, S.},
abstractNote = {The electronic structure and the anomalous Hall effect (AHE) at the recently grown 3 d - 5 d superlattice structure (SrMnO3)1 / (SrIrO3)1 are investigated theoretically using model and density-functional calculations. The observed ferromagnetism for the SMO layer, which becomes electron doped because of the charge transfer across the interface, is explained to be due to the Anderson-Hasegawa double exchange, while the SIO side becomes ferromagnetic due to the proximity effect and the Nagaoka physics of a hole-doped system. The broken time-reversal symmetry and the strong spin-orbit coupling in SIO provide the two essential ingredients for the AHE, which we describe within a square lattice model of d-orbitals relevant for the present structure. The model correctly predicts the order of magnitude of the anomalous Hall conductivity (AHC), which is computed using the Kubo formula. The density-functional results for the AHC are in good agreement with the experiments.},
doi = {10.1103/physrevb.99.245145},
journal = {Physical Review B},
number = 24,
volume = 99,
place = {United States},
year = {Tue Jun 25 00:00:00 EDT 2019},
month = {Tue Jun 25 00:00:00 EDT 2019}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 14 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Possible suppression of canted spin order in the double-exchange lanthanum manganites
journal, February 1997


Orbital ordering and exchange interaction in the manganites
journal, August 2001


High-pressure synthesis of orthorhombic SrIrO3 perovskite and its positive magnetoresistance
journal, May 2008

  • Zhao, J. G.; Yang, L. X.; Yu, Y.
  • Journal of Applied Physics, Vol. 103, Issue 10
  • DOI: 10.1063/1.2908879

On a New Action of the Magnet on Electric Currents
journal, September 1879

  • Hall, E. H.
  • American Journal of Mathematics, Vol. 2, Issue 3
  • DOI: 10.2307/2369245

Projector augmented-wave method
journal, December 1994


Stabilising the orthorhombic perovskite structure in SrIrO3 through chemical doping. Synthesis, structure and magnetic properties of SrIr1−xMgxO3(0.20 ≤ x ≤ 0.33)
journal, January 2013

  • Qasim, Ilyas; Kennedy, Brendan J.; Avdeev, Maxim
  • Journal of Materials Chemistry A, Vol. 1, Issue 42
  • DOI: 10.1039/c3ta12326j

Interplay between spin-orbit coupling and Hubbard interaction in SrIrO 3 and related Pbnm perovskite oxides
journal, August 2012


Quantized Hall Conductance in a Two-Dimensional Periodic Potential
journal, August 1982


Ferromagnetism in a Narrow, Almost Half-Filled s Band
journal, July 1966


Symmetry-Based Computational Tools for Magnetic Crystallography
journal, July 2015


Electric field tuning of the anomalous Hall effect at oxide interfaces
journal, May 2019


Berry Phase, Hyperorbits, and the Hofstadter Spectrum
journal, August 1995


QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

wannier90: A tool for obtaining maximally-localised Wannier functions
journal, May 2008

  • Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su
  • Computer Physics Communications, Vol. 178, Issue 9
  • DOI: 10.1016/j.cpc.2007.11.016

Anomalous Hall Effect in Ferromagnetic Semiconductors
journal, May 2002


Engineering a Spin-Orbital Magnetic Insulator by Tailoring Superlattices
journal, June 2015


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


Berry phase, hyperorbits, and the Hofstadter spectrum: Semiclassical dynamics in magnetic Bloch bands
journal, March 1996


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Intrinsic anomalous Hall effect in ferromagnetic metals studied by the multi- d -orbital tight-binding model
journal, May 2007


Electronic Structure of the Perovskite Oxides: La 1 x Ca x MnO 3
journal, February 1996

  • Satpathy, S.; Popović, Zoran S.; Vukajlović, Filip R.
  • Physical Review Letters, Vol. 76, Issue 6
  • DOI: 10.1103/PhysRevLett.76.960

Maximally localized generalized Wannier functions for composite energy bands
journal, November 1997


First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe
journal, January 2004


Structure and properties of the high and low pressure forms of SrIrO3
journal, May 1971


Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991

  • Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K.
  • Physical Review B, Vol. 44, Issue 3, p. 943-954
  • DOI: 10.1103/PhysRevB.44.943

Spin-Glass-Like Behavior and Topological Hall Effect in SrRuO 3 /SrIrO 3 Superlattices for Oxide Spintronics Applications
journal, January 2017

  • Pang, Bin; Zhang, Lunyong; Chen, Y. B.
  • ACS Applied Materials & Interfaces, Vol. 9, Issue 3
  • DOI: 10.1021/acsami.7b00150

Electronic and Magnetic Structure under Lattice Distortion in SrIrO 3 /SrTiO 3 Superlattice: A First-Principles Study
journal, March 2015


XVIII. On the “Rotational Coefficient” in nickel and cobalt
journal, September 1881

  • Hall, E. H.
  • The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 12, Issue 74
  • DOI: 10.1080/14786448108627086

Effects of Double Exchange in Magnetic Crystals
journal, April 1960


Controlling entangled spin-orbit coupling of 5 d states with interfacial heterostructure engineering
journal, March 2018


Magnetic Structure of the Cubic Perovskite Type SrMnO 3
journal, July 1974

  • Takeda, Takayoshi; Ōhara, Sōji
  • Journal of the Physical Society of Japan, Vol. 37, Issue 1
  • DOI: 10.1143/JPSJ.37.275

Mott metal-insulator transition in the doped Hubbard-Holstein model
journal, August 2017


XXXVIII. On the new action of magnetism on a permanent electric current
journal, November 1880

  • Hall, E. H.
  • The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 10, Issue 63
  • DOI: 10.1080/14786448008626936

Wave-packet dynamics in slowly perturbed crystals: Gradient corrections and Berry-phase effects
journal, June 1999


Charge Transfer in Iridate-Manganite Superlattices
journal, March 2017


Emerging magnetism and anomalous Hall effect in iridate–manganite heterostructures
journal, September 2016

  • Nichols, John; Gao, Xiang; Lee, Shinbuhm
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms12721

Hall Effect in Ferromagnetics
journal, September 1954


Anomalous Hall Effect Arising from Noncollinear Antiferromagnetism
journal, January 2014


Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
journal, May 2021


Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020


On a new action of the magnet on electric currents
journal, March 1880


Anomalous Hall effect arising from noncollinear antiferromagnetism
text, January 2013


Engineering spin-orbital magnetic insulator by tailoring superlattices
text, January 2014


Mott metal-insulator transition in the Doped Hubbard-Holstein model
text, January 2017


Electric field tuning of the anomalous Hall effect at oxide interfaces
preprint, January 2018


Anomalous Hall effect in ferromagnetic semiconductors
text, January 2001


First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe
text, January 2003


Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation
text, January 2006


Berry phase, hyperorbits, and the Hofstadter spectrum
text, January 1995


Works referencing / citing this record:

Tailoring magnetic order via atomically stacking 3 d /5 d electrons to achieve high-performance spintronic devices
journal, March 2020

  • Huang, Ke; Wu, Liang; Wang, Maoyu
  • Applied Physics Reviews, Vol. 7, Issue 1
  • DOI: 10.1063/1.5124373