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Title: Proximity Spin–Orbit Torque on a Two-Dimensional Magnet within van der Waals Heterostructure: Current-Driven Antiferromagnet-to-Ferromagnet Reversible Nonequilibrium Phase Transition in Bilayer CrI3

Abstract

The recently discovered two-dimensional magnetic insulator CrI3 is an intriguing case for basic research and spintronic applications since it is a ferromagnet in the bulk but an antiferromagnet in bilayer form, with its magnetic ordering amenable to external manipulations. Using the first-principles quantum transport approach, we predict that injecting unpolarized charge current parallel to the interface of the bilayer-CrI3/monolayer-TaSe2 van der Waals (vdW) heterostructure will induce spin–orbit torque and thereby drive the dynamics of magnetization on the first monolayer of CrI3 in direct contact with TaSe2. By combining the calculated complex angular dependence of spin–orbit torque with the Landau-Lifshitz-Gilbert equation for classical dynamics of magnetization, we demonstrate that current pulses can switch the direction of magnetization on the first monolayer to become parallel to that of the second monolayer, thereby converting CrI3 from antiferromagnet to ferromagnet while not requiring any external magnetic field. We explain the mechanism of this reversible current-driven nonequilibrium phase transition by showing that first monolayer of CrI3 carries current due to evanescent wave functions injected by metallic transition metal dichalcogenide TaSe2, while concurrently acquiring strong spin–orbit coupling via such a proximity effect, whereas the second monolayer of CrI3 remains insulating. Furthermore, the transition can be detectedmore » by passing vertical read current through the vdW heterostructure, encapsulated by a bilayer of hexagonal boron nitride and sandwiched between graphite electrodes, where we find a tunneling magnetoresistance of ≃240%.« less

Authors:
 [1];  [1];  [2];  [1];  [2]; ORCiD logo [1]
  1. Univ. of Delaware, Newark, DE (United States)
  2. Univ. of Regensburg (Germany)
Publication Date:
Research Org.:
Univ. of Delaware, Newark, DE (United States)
Sponsoring Org.:
USDOE; National Science Foundation (NSF)
OSTI Identifier:
1886895
Grant/Contract Number:  
SC0016380; ACI-1053575
Resource Type:
Accepted Manuscript
Journal Name:
Nano Letters
Additional Journal Information:
Journal Volume: 20; Journal Issue: 4; Journal ID: ISSN 1530-6984
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; spin−orbit torque; 2D magnetic materials; van der Waals; heterostructures; spintronics; first-principles quantum transport; magnetic properties; monolayers; quantum mechanics; vesicles

Citation Formats

Dolui, Kapildeb, Petrović, Marko D., Zollner, Klaus, Plecháč, Petr, Fabian, Jaroslav, and Nikolić, Branislav K. Proximity Spin–Orbit Torque on a Two-Dimensional Magnet within van der Waals Heterostructure: Current-Driven Antiferromagnet-to-Ferromagnet Reversible Nonequilibrium Phase Transition in Bilayer CrI3. United States: N. p., 2020. Web. doi:10.1021/acs.nanolett.9b04556.
Dolui, Kapildeb, Petrović, Marko D., Zollner, Klaus, Plecháč, Petr, Fabian, Jaroslav, & Nikolić, Branislav K. Proximity Spin–Orbit Torque on a Two-Dimensional Magnet within van der Waals Heterostructure: Current-Driven Antiferromagnet-to-Ferromagnet Reversible Nonequilibrium Phase Transition in Bilayer CrI3. United States. https://doi.org/10.1021/acs.nanolett.9b04556
Dolui, Kapildeb, Petrović, Marko D., Zollner, Klaus, Plecháč, Petr, Fabian, Jaroslav, and Nikolić, Branislav K. Wed . "Proximity Spin–Orbit Torque on a Two-Dimensional Magnet within van der Waals Heterostructure: Current-Driven Antiferromagnet-to-Ferromagnet Reversible Nonequilibrium Phase Transition in Bilayer CrI3". United States. https://doi.org/10.1021/acs.nanolett.9b04556. https://www.osti.gov/servlets/purl/1886895.
@article{osti_1886895,
title = {Proximity Spin–Orbit Torque on a Two-Dimensional Magnet within van der Waals Heterostructure: Current-Driven Antiferromagnet-to-Ferromagnet Reversible Nonequilibrium Phase Transition in Bilayer CrI3},
author = {Dolui, Kapildeb and Petrović, Marko D. and Zollner, Klaus and Plecháč, Petr and Fabian, Jaroslav and Nikolić, Branislav K.},
abstractNote = {The recently discovered two-dimensional magnetic insulator CrI3 is an intriguing case for basic research and spintronic applications since it is a ferromagnet in the bulk but an antiferromagnet in bilayer form, with its magnetic ordering amenable to external manipulations. Using the first-principles quantum transport approach, we predict that injecting unpolarized charge current parallel to the interface of the bilayer-CrI3/monolayer-TaSe2 van der Waals (vdW) heterostructure will induce spin–orbit torque and thereby drive the dynamics of magnetization on the first monolayer of CrI3 in direct contact with TaSe2. By combining the calculated complex angular dependence of spin–orbit torque with the Landau-Lifshitz-Gilbert equation for classical dynamics of magnetization, we demonstrate that current pulses can switch the direction of magnetization on the first monolayer to become parallel to that of the second monolayer, thereby converting CrI3 from antiferromagnet to ferromagnet while not requiring any external magnetic field. We explain the mechanism of this reversible current-driven nonequilibrium phase transition by showing that first monolayer of CrI3 carries current due to evanescent wave functions injected by metallic transition metal dichalcogenide TaSe2, while concurrently acquiring strong spin–orbit coupling via such a proximity effect, whereas the second monolayer of CrI3 remains insulating. Furthermore, the transition can be detected by passing vertical read current through the vdW heterostructure, encapsulated by a bilayer of hexagonal boron nitride and sandwiched between graphite electrodes, where we find a tunneling magnetoresistance of ≃240%.},
doi = {10.1021/acs.nanolett.9b04556},
journal = {Nano Letters},
number = 4,
volume = 20,
place = {United States},
year = {Wed Mar 04 00:00:00 EST 2020},
month = {Wed Mar 04 00:00:00 EST 2020}
}

Works referenced in this record:

Absence of Ferromagnetism or Antiferromagnetism in One- or Two-Dimensional Isotropic Heisenberg Models
journal, November 1966


Recent advances in spin-orbit torques: Moving towards device applications
journal, September 2018

  • Ramaswamy, Rajagopalan; Lee, Jong Min; Cai, Kaiming
  • Applied Physics Reviews, Vol. 5, Issue 3
  • DOI: 10.1063/1.5041793

Transverse Spin-Gradient Functional for Noncollinear Spin-Density-Functional Theory
journal, October 2013


Stacking tunable interlayer magnetism in bilayer CrI 3
journal, April 2019


Intrinsic spin-orbit torque in a single-domain nanomagnet
journal, December 2017


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

Spatially and time-resolved magnetization dynamics driven by spin–orbit torques
journal, August 2017

  • Baumgartner, Manuel; Garello, Kevin; Mendil, Johannes
  • Nature Nanotechnology, Vol. 12, Issue 10
  • DOI: 10.1038/nnano.2017.151

Composite super-moiré lattices in double-aligned graphene heterostructures
journal, December 2019


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


Electrical control of 2D magnetism in bilayer CrI3
journal, April 2018


Probing magnetism in 2D van der Waals crystalline insulators via electron tunneling
journal, May 2018


First-principles calculation of spin-orbit torque in a Co/Pt bilayer
journal, January 2019


Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995


Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors
journal, October 2011


Quantum kinetic theory of current-induced torques in Rashba ferromagnets
journal, July 2012


Intrinsic Van Der Waals Magnetic Materials from Bulk to the 2D Limit: New Frontiers of Spintronics
journal, May 2019


Spin Currents and Spin Dynamics in Time-Dependent Density-Functional Theory
journal, October 2001


Two‐Dimensional Magnets: Forgotten History and Recent Progress towards Spintronic Applications
journal, May 2019

  • Cortie, David L.; Causer, Grace L.; Rule, Kirrily C.
  • Advanced Functional Materials, Vol. 30, Issue 18
  • DOI: 10.1002/adfm.201901414

Spin-orbit torques in Co/Pt(111) and Mn/W(001) magnetic bilayers from first principles
journal, November 2014


Two-dimensional magnetic crystals and emergent heterostructure devices
journal, February 2019


Nonequilibrium Many-Body Theory of Quantum Systems
book, March 2013


Interfacial contributions to spin-orbit torque and magnetoresistance in ferromagnet/heavy-metal bilayers
journal, January 2020


Controlling magnetism in 2D CrI3 by electrostatic doping
journal, May 2018


Spin and Charge Pumping by a Steady or Pulse-Current-Driven Magnetic Domain Wall: A Self-Consistent Multiscale Time-Dependent Quantum-Classical Hybrid Approach
journal, November 2018


Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals
journal, April 2017


First-principles study of the angular dependence of the spin-orbit torque in Pt/Co and Pd/Co bilayers
journal, June 2018


Electric-field switching of two-dimensional van der Waals magnets
journal, March 2018


Proximity exchange effects in MoSe 2 and WSe 2 heterostructures with CrI 3 : Twist angle, layer, and gate dependence
journal, August 2019


Effect of dimensionality and spin-orbit coupling on charge-density-wave transition in 2H-TaSe 2
journal, September 2012


Stacking-Dependent Magnetism in Bilayer CrI 3
journal, November 2018


Control of spin–orbit torques through crystal symmetry in WTe2/ferromagnet bilayers
journal, November 2016

  • MacNeill, D.; Stiehl, G. M.; Guimaraes, M. H. D.
  • Nature Physics, Vol. 13, Issue 3
  • DOI: 10.1038/nphys3933

Large Tunneling Magnetoresistance in VSe 2 /MoS 2 Magnetic Tunnel Junction
journal, April 2019

  • Zhou, Jiaqi; Qiao, Junfeng; Duan, Chun-Gang
  • ACS Applied Materials & Interfaces, Vol. 11, Issue 19
  • DOI: 10.1021/acsami.9b02493

Current-induced spin-orbit torques in ferromagnetic and antiferromagnetic systems
journal, September 2019


Multiscale modeling of current-induced switching in magnetic tunnel junctions using ab initio spin-transfer torques
journal, December 2017


Spin-torque building blocks
journal, December 2013

  • Locatelli, N.; Cros, V.; Grollier, J.
  • Nature Materials, Vol. 13, Issue 1
  • DOI: 10.1038/nmat3823

Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit
journal, June 2017

  • Huang, Bevin; Clark, Genevieve; Navarro-Moratalla, Efrén
  • Nature, Vol. 546, Issue 7657
  • DOI: 10.1038/nature22391

Highly Efficient Spin–Orbit Torque and Switching of Layered Ferromagnet Fe 3 GeTe 2
journal, June 2019


Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

Proximity Band Structure and Spin Textures on Both Sides of Topological-Insulator/Ferromagnetic-Metal Interface and Their Charge Transport Probes
journal, August 2017


Magnetism in two-dimensional van der Waals materials
journal, October 2018


Symmetry and magnitude of spin–orbit torques in ferromagnetic heterostructures
journal, July 2013

  • Garello, Kevin; Miron, Ioan Mihai; Avci, Can Onur
  • Nature Nanotechnology, Vol. 8, Issue 8
  • DOI: 10.1038/nnano.2013.145

Optimization algorithm for the generation of ONCV pseudopotentials
journal, November 2015


Magnetic 2D materials and heterostructures
journal, May 2019


Giant tunneling magnetoresistance in spin-filter van der Waals heterostructures
journal, May 2018


Voltage Control of a van der Waals Spin-Filter Magnetic Tunnel Junction
journal, January 2019


On the origin of magnetic anisotropy in two dimensional CrI 3
journal, June 2017


Very large tunneling magnetoresistance in layered magnetic semiconductor CrI3
journal, June 2018


Robust intrinsic ferromagnetism and half semiconductivity in stable two-dimensional single-layer chromium trihalides
journal, January 2015

  • Zhang, Wei-Bing; Qu, Qian; Zhu, Peng
  • Journal of Materials Chemistry C, Vol. 3, Issue 48
  • DOI: 10.1039/C5TC02840J

Anisotropic magnetoresistance driven by surface spin-orbit scattering
journal, July 2015