Interlayer magnetism in Fe3-xGeTe2

Kong, Xiangru; Nguyen, Giang D.; Lee, Jinhwan; Lee, Changgu; Calder, Stuart; May, Andrew F.; Gai, Zheng; Li, An-Ping; Liang, Liangbo; Berlijn, Tom

doi:10.1103/physrevmaterials.4.094403

Title: Interlayer magnetism in Fe_3-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:

Kong, Xiangru ^[1]; Nguyen, Giang D. ^[2]; Lee, Jinhwan ^[3]; Lee, Changgu ^[4];

^[5]; May, Andrew F. ^[5]; Gai, Zheng ^[1]; Li, An-Ping ^[1]; Liang, Liangbo ^[1];

^[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). Center for Nanophase Materials Sciences (CNMS); Univ. of British Columbia, Vancouver, BC (Canada). Stewart Blusson Quantum Matter Inst.
Sungkyunkwan Univ., Suwon (South Korea)
Sungkyunkwan Univ., Suwon (South Korea); Sungkyunkwan Univ., Suwon (South Korea). SKKU Advanced Inst. of Nanotechnology
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
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:: 2020-09-09

Research Org.:: Oak Ridge National Laboratory (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:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 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.

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                    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.  https://doi.org/10.1103/physrevmaterials.4.094403

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                    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.  https://doi.org/10.1103/physrevmaterials.4.094403.  https://www.osti.gov/servlets/purl/1661231.

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@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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Title: Interlayer magnetism in Fe3-xGeTe2

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

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

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

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

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

Van der Waals heterostructures journal, July 2013

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

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

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

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

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

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

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

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

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

Title: Interlayer magnetism in Fe_3-xGeTe₂

Generalized Gradient Approximation Made Simple
journal, October 1996

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

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

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

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

Van der Waals heterostructures
journal, July 2013

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

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

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

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

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

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

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

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

Ferromagnetic Order, Strong Magnetocrystalline Anisotropy, and Magnetocaloric Effect in the Layered Telluride Fe _3−δ GeTe ₂
journal, August 2015