Antiferromagnetic fluctuations and orbital-selective Mott transition in the van der Waals ferromagnet Fe3-xGeTe2

Xiaojian Bai; Frank Lechermann; Yaohua Liu; Yongqiang Cheng; Alexander I. Kolesnikov; Feng Ye; Travis J. Williams; Songxue Chi; Tao Hong; Garrett E. Granroth; Andrew F. May; Stuart Calder

doi:10.1103/PhysRevB.106.L180409

Antiferromagnetic fluctuations and orbital-selective Mott transition in the van der Waals ferromagnet Fe3-xGeTe2

Xiaojian Bai, Frank Lechermann, Yaohua Liu, Yongqiang Cheng, Alexander I. Kolesnikov, Feng Ye, Travis J. Williams, Songxue Chi, Tao Hong, Garrett E. Granroth, Andrew F. May, Stuart Calder

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

Fe3-xGeTe2 is a layered magnetic van der Waals material of interest for both fundamental and applied research. Despite the observation of intriguing physical properties, open questions exist even on the basic features related to magnetism: is it a simple ferromagnet or are there antiferromagnetic regimes, and are the moments local or itinerant. Here, we demonstrate that antiferromagnetic spin fluctuations coexist with the ferromagnetism through comprehensive elastic and inelastic neutron scattering and thermodynamic measurements. Our realistic dynamical mean-field theory calculations reveal that the competing magnetic fluctuations are driven by an orbital selective Mott transition (OSMT), where only the plane-perpendicular a1g orbital of the Fe(3d) manifold remains itinerant. Our results highlight the multi-orbital character in Fe3-xGeTe2 that supports a rare coexistence of local and itinerant physics within this material.

Original language	English
Article number	L180409
Journal	Physical Review B
Volume	106
Issue number	18
DOIs	https://doi.org/10.1103/PhysRevB.106.L180409
State	Published - Nov 1 2022

Funding

X.B. thanks Cristian Batista for valuable discussions. Sample synthesis and characterization (A.F.M.) was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. This research used resources at the High Flux Isotope Reactor and Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. F.L. acknowledges support from the European XFEL and the Center for Computational Quantum Physics of the Flatiron Institute under the Simons Award ID 825141. Computations were performed at the JUWELS Cluster of the Jülich Supercomputing Centre (JSC) under Projects No. hhh08 and No. miqs.

Funders	Funder number
European XFEL
Flatiron Institute	825141
Jülich Supercomputing Centre
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Division of Materials Sciences and Engineering

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10.1103/PhysRevB.106.L180409

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abstract = "Fe3-xGeTe2 is a layered magnetic van der Waals material of interest for both fundamental and applied research. Despite the observation of intriguing physical properties, open questions exist even on the basic features related to magnetism: is it a simple ferromagnet or are there antiferromagnetic regimes, and are the moments local or itinerant. Here, we demonstrate that antiferromagnetic spin fluctuations coexist with the ferromagnetism through comprehensive elastic and inelastic neutron scattering and thermodynamic measurements. Our realistic dynamical mean-field theory calculations reveal that the competing magnetic fluctuations are driven by an orbital selective Mott transition (OSMT), where only the plane-perpendicular a1g orbital of the Fe(3d) manifold remains itinerant. Our results highlight the multi-orbital character in Fe3-xGeTe2 that supports a rare coexistence of local and itinerant physics within this material.",

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AU - Bai, Xiaojian

AU - Lechermann, Frank

AU - Liu, Yaohua

AU - Cheng, Yongqiang

AU - Kolesnikov, Alexander I.

AU - Ye, Feng

AU - Williams, Travis J.

AU - Chi, Songxue

AU - Hong, Tao

AU - Granroth, Garrett E.

AU - May, Andrew F.

AU - Calder, Stuart

PY - 2022/11/1

Y1 - 2022/11/1

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AB - Fe3-xGeTe2 is a layered magnetic van der Waals material of interest for both fundamental and applied research. Despite the observation of intriguing physical properties, open questions exist even on the basic features related to magnetism: is it a simple ferromagnet or are there antiferromagnetic regimes, and are the moments local or itinerant. Here, we demonstrate that antiferromagnetic spin fluctuations coexist with the ferromagnetism through comprehensive elastic and inelastic neutron scattering and thermodynamic measurements. Our realistic dynamical mean-field theory calculations reveal that the competing magnetic fluctuations are driven by an orbital selective Mott transition (OSMT), where only the plane-perpendicular a1g orbital of the Fe(3d) manifold remains itinerant. Our results highlight the multi-orbital character in Fe3-xGeTe2 that supports a rare coexistence of local and itinerant physics within this material.

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Antiferromagnetic fluctuations and orbital-selective Mott transition in the van der Waals ferromagnet Fe3-xGeTe2

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