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Title: Interlayer magnetism in Fe3-xGeTe2

Abstract

Fe 3 - x GeTe 2 is a layered van der Waals magnetic material with a relatively high ordering temperature and large anisotropy. While most studies have concluded the interlayer ordering to be ferromagnetic, there have also been reports of interlayer antiferromagnetism in Fe 3 - x GeTe 2 . In this work, we investigate the interlayer magnetic ordering by neutron diffraction experiments, scanning tunneling microscopy (STM) and spin-polarized STM measurements, density functional theory plus U calculations, and STM simulations. We conclude that the layers of Fe 3 - x GeTe 2 are coupled ferromagnetically and that in order to capture the magnetic and electronic properties of Fe 3 - x GeTe 2 within density functional theory, Hubbard U corrections need to be taken into account.

Authors:
 [1];  [2];  [3];  [4]; ORCiD logo [5];  [5];  [1];  [1];  [1]; ORCiD logo [6]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS); Univ. of British Columbia, Vancouver, BC (Canada). Stewart Blusson Quantum Matter Inst.
  3. Sungkyunkwan Univ., Suwon (South Korea)
  4. Sungkyunkwan Univ., Suwon (South Korea); Sungkyunkwan Univ., Suwon (South Korea). SKKU Advanced Inst. of Nanotechnology
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1661231
Grant/Contract Number:  
AC05-00OR22725; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 4; Journal Issue: 9; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
Magnetism; 2-dimensional systems

Citation Formats

Kong, Xiangru, Nguyen, Giang D., Lee, Jinhwan, Lee, Changgu, Calder, Stuart, May, Andrew F., Gai, Zheng, Li, An-Ping, Liang, Liangbo, and Berlijn, Tom. Interlayer magnetism in Fe3-xGeTe2. United States: N. p., 2020. Web. doi:10.1103/physrevmaterials.4.094403.
Kong, Xiangru, Nguyen, Giang D., Lee, Jinhwan, Lee, Changgu, Calder, Stuart, May, Andrew F., Gai, Zheng, Li, An-Ping, Liang, Liangbo, & Berlijn, Tom. Interlayer magnetism in Fe3-xGeTe2. United States. doi:10.1103/physrevmaterials.4.094403.
Kong, Xiangru, Nguyen, Giang D., Lee, Jinhwan, Lee, Changgu, Calder, Stuart, May, Andrew F., Gai, Zheng, Li, An-Ping, Liang, Liangbo, and Berlijn, Tom. Wed . "Interlayer magnetism in Fe3-xGeTe2". United States. doi:10.1103/physrevmaterials.4.094403.
@article{osti_1661231,
title = {Interlayer magnetism in Fe3-xGeTe2},
author = {Kong, Xiangru and Nguyen, Giang D. and Lee, Jinhwan and Lee, Changgu and Calder, Stuart and May, Andrew F. and Gai, Zheng and Li, An-Ping and Liang, Liangbo and Berlijn, Tom},
abstractNote = {Fe3-xGeTe2 is a layered van der Waals magnetic material with a relatively high ordering temperature and large anisotropy. While most studies have concluded the interlayer ordering to be ferromagnetic, there have also been reports of interlayer antiferromagnetism in Fe3-xGeTe2. In this work, we investigate the interlayer magnetic ordering by neutron diffraction experiments, scanning tunneling microscopy (STM) and spin-polarized STM measurements, density functional theory plus U calculations, and STM simulations. We conclude that the layers of Fe3-xGeTe2 are coupled ferromagnetically and that in order to capture the magnetic and electronic properties of Fe3-xGeTe2 within density functional theory, Hubbard U corrections need to be taken into account.},
doi = {10.1103/physrevmaterials.4.094403},
journal = {Physical Review Materials},
number = 9,
volume = 4,
place = {United States},
year = {2020},
month = {9}
}

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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

Itinerant Antiferromagnetism in RuO 2
journal, February 2017


Fe 5− x Ge 2 Te 2 —a New Exfoliable Itinerant Ferromagnet with High Curie Temperature and Large Perpendicular Magnetic Anisotropy
journal, December 2019

  • Jothi, Palani R.; Scheifers, Jan P.; Zhang, Yuemei
  • physica status solidi (RRL) – Rapid Research Letters, Vol. 14, Issue 3
  • DOI: 10.1002/pssr.201900666

Observation of Magnetic Skyrmion Bubbles in a van der Waals Ferromagnet Fe 3 GeTe 2
journal, December 2019


Origin of ferromagnetism and the effect of doping on Fe 3 GeTe 2
journal, January 2020

  • Jang, Seung Woo; Yoon, Hongkee; Jeong, Min Yong
  • Nanoscale, Vol. 12, Issue 25
  • DOI: 10.1039/c9nr10171c

Gate-tunable room-temperature ferromagnetism in two-dimensional Fe3GeTe2
journal, October 2018


Critical behavior of the van der Waals bonded ferromagnet Fe 3 x GeTe 2
journal, October 2017


Néel-type skyrmion in WTe2/Fe3GeTe2 van der Waals heterostructure
journal, July 2020


Two-dimensional itinerant ferromagnetism in atomically thin Fe3GeTe2
journal, August 2018


Electronic correlation and magnetism in the ferromagnetic metal Fe 3 GeTe 2
journal, April 2016


Domain wall pinning and hard magnetic phase in Co-doped bulk single crystalline Fe 3 GeTe 2
journal, May 2019


Visualization and manipulation of magnetic domains in the quasi-two-dimensional material F e 3 GeT e 2
journal, January 2018


Van der Waals density functionals applied to solids
journal, May 2011


Angular dependence of the topological Hall effect in the uniaxial van der Waals ferromagnet Fe 3 GeTe 2
journal, October 2019


A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory
journal, September 2018

  • Calder, S.; An, K.; Boehler, R.
  • Review of Scientific Instruments, Vol. 89, Issue 9
  • DOI: 10.1063/1.5033906

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


Van der Waals heterostructures
journal, July 2013

  • Geim, A. K.; Grigorieva, I. V.
  • Nature, Vol. 499, Issue 7459, p. 419-425
  • DOI: 10.1038/nature12385

The van der Waals Ferromagnets Fe 5- δ GeTe 2 and Fe 5- δ -x Ni x GeTe 2 - Crystal Structure, Stacking Faults, and Magnetic Properties : The van der Waals Ferromagnets Fe
journal, November 2018

  • Stahl, Juliane; Shlaen, Evgeniya; Johrendt, Dirk
  • Zeitschrift für anorganische und allgemeine Chemie, Vol. 644, Issue 24
  • DOI: 10.1002/zaac.201800456

Fe3GeTe2 and Ni3GeTe2 – Two New Layered Transition-Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties
journal, April 2006

  • Deiseroth, Hans-Jörg; Aleksandrov, Krasimir; Reiner, Christof
  • European Journal of Inorganic Chemistry, Vol. 2006, Issue 8
  • DOI: 10.1002/ejic.200501020

Physical properties and thermal stability of Fe 5 x GeTe 2 single crystals
journal, October 2019


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


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


Signature for non-Stoner ferromagnetism in the van der Waals ferromagnet F e 3 GeT e 2
journal, May 2020


Magnetic Properties of Layered Itinerant Electron Ferromagnet Fe 3 GeTe 2
journal, December 2013

  • Chen, Bin; Yang, JinHu; Wang, HangDong
  • Journal of the Physical Society of Japan, Vol. 82, Issue 12
  • DOI: 10.7566/JPSJ.82.124711

Chemical accuracy for the van der Waals density functional
journal, December 2009

  • Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos
  • Journal of Physics: Condensed Matter, Vol. 22, Issue 2
  • DOI: 10.1088/0953-8984/22/2/022201

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011


Large anomalous Hall current induced by topological nodal lines in a ferromagnetic van der Waals semimetal
journal, July 2018


Current-driven magnetization switching in a van der Waals ferromagnet Fe 3 GeTe 2
journal, August 2019


Inhomogeneous Electron Gas
journal, November 1964


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


Surface Magnetism of Cobalt Nanoislands Controlled by Atomic Hydrogen
journal, December 2016


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


Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2
journal, April 2016


2D materials and van der Waals heterostructures
journal, July 2016


Competing antiferromagnetism in a quasi-2D itinerant ferromagnet: Fe 3 GeTe 2
journal, November 2016


Magnetic structure and phase stability of the van der Waals bonded ferromagnet Fe 3 x GeTe 2
journal, January 2016


Ferromagnetism Near Room Temperature in the Cleavable van der Waals Crystal Fe 5 GeTe 2
journal, March 2019


Ferromagnetic Order, Strong Magnetocrystalline Anisotropy, and Magnetocaloric Effect in the Layered Telluride Fe 3−δ GeTe 2
journal, August 2015


Emergence of Kondo lattice behavior in a van der Waals itinerant ferromagnet, Fe 3 GeTe 2
journal, January 2018


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


Magnetic excitations in the quasi-two-dimensional ferromagnet Fe 3 x GeTe 2 measured with inelastic neutron scattering
journal, March 2019


Magnetic microstructure and magnetic properties of uniaxial itinerant ferromagnet Fe3GeTe2
journal, August 2016

  • León-Brito, N.; Bauer, E. D.; Ronning, F.
  • Journal of Applied Physics, Vol. 120, Issue 8
  • DOI: 10.1063/1.4961592

Intrinsic magnetic topological insulators in van der Waals layered MnBi 2 Te 4 -family materials
journal, June 2019


Characteristics and temperature-field-thickness evolutions of magnetic domain structures in van der Waals magnet Fe 3 GeTe 2 nanolayers
journal, May 2020

  • Wang, Hong; Wang, Cuixiang; Li, Zi-An
  • Applied Physics Letters, Vol. 116, Issue 19
  • DOI: 10.1063/5.0009484

Giant nonreciprocal second-harmonic generation from antiferromagnetic bilayer CrI3
journal, July 2019