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Title: Electronic Correlation and Magnetism in the Ferromagnetic Metal Fe3GeTe2

Abstract

Motivated by the search for design principles of rare-earth-free strong magnets, we present a study of electronic structure and magnetic properties of the ferromagnetic metal Fe3GeTe2 within local density approximation (LDA) of the density functional theory, and its combination with dynamical mean-field theory (DMFT). For comparison to these calculations, we have measured magnetic and thermodynamic properties as well as X-ray magnetic circular dichroism and the photoemission spectrum of single crystal Fe3GeTe2. We find that the experimentally determined Sommerfeld coefficient is enhanced by an order of magnitude with respect to the LDA value. This enhancement can be partially explained by LDA+DMFT. Additionally, the inclusion of dynamical electronic correlation effects provides the experimentally observed magnetic moments, and the spectral density is in better agreement with photoemission data. Lastly, these results establish the importance of electronic correlations in this ferromagnet.

Authors:
ORCiD logo [1];  [1];  [2];  [2];  [1];  [1];  [3];  [4];  [1];  [1];  [1];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. National Center for Research in Energy and Materials (CNPEM), Campinas (Brazil). Brazil Synchrotron Light Lab. (LNLS)
  3. Uppsala Univ. (Sweden). Dept. of Physics & Astronomy
  4. Paul Scherrer Inst., Villigen (Switzerland). Lab. for Neutron Scattering and Imaging; KTH Royal Inst. of Technology, Stockholm (Sweden). Dept. of Materials and Nanophysics
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1338733
Alternate Identifier(s):
OSTI ID: 1245639
Report Number(s):
LA-UR-15-29522
Journal ID: iSSN 2469-9950
Grant/Contract Number:  
AC52-06NA25396; INCA-2014-6426
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 93; Journal Issue: 14
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Material Science

Citation Formats

Zhu, Jian-Xin, Janoschek, Marc, Chaves, D. S., Cezar, J. C., Durakiewicz, Tomasz, Ronning, Filip, Sassa, Yasmine, Mansson, Martin, Scott, B. L., Wakeham, N., Bauer, Eric Dietzgen, and Thompson, Joe David. Electronic Correlation and Magnetism in the Ferromagnetic Metal Fe3GeTe2. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.93.144404.
Zhu, Jian-Xin, Janoschek, Marc, Chaves, D. S., Cezar, J. C., Durakiewicz, Tomasz, Ronning, Filip, Sassa, Yasmine, Mansson, Martin, Scott, B. L., Wakeham, N., Bauer, Eric Dietzgen, & Thompson, Joe David. Electronic Correlation and Magnetism in the Ferromagnetic Metal Fe3GeTe2. United States. doi:10.1103/PhysRevB.93.144404.
Zhu, Jian-Xin, Janoschek, Marc, Chaves, D. S., Cezar, J. C., Durakiewicz, Tomasz, Ronning, Filip, Sassa, Yasmine, Mansson, Martin, Scott, B. L., Wakeham, N., Bauer, Eric Dietzgen, and Thompson, Joe David. Tue . "Electronic Correlation and Magnetism in the Ferromagnetic Metal Fe3GeTe2". United States. doi:10.1103/PhysRevB.93.144404. https://www.osti.gov/servlets/purl/1338733.
@article{osti_1338733,
title = {Electronic Correlation and Magnetism in the Ferromagnetic Metal Fe3GeTe2},
author = {Zhu, Jian-Xin and Janoschek, Marc and Chaves, D. S. and Cezar, J. C. and Durakiewicz, Tomasz and Ronning, Filip and Sassa, Yasmine and Mansson, Martin and Scott, B. L. and Wakeham, N. and Bauer, Eric Dietzgen and Thompson, Joe David},
abstractNote = {Motivated by the search for design principles of rare-earth-free strong magnets, we present a study of electronic structure and magnetic properties of the ferromagnetic metal Fe3GeTe2 within local density approximation (LDA) of the density functional theory, and its combination with dynamical mean-field theory (DMFT). For comparison to these calculations, we have measured magnetic and thermodynamic properties as well as X-ray magnetic circular dichroism and the photoemission spectrum of single crystal Fe3GeTe2. We find that the experimentally determined Sommerfeld coefficient is enhanced by an order of magnitude with respect to the LDA value. This enhancement can be partially explained by LDA+DMFT. Additionally, the inclusion of dynamical electronic correlation effects provides the experimentally observed magnetic moments, and the spectral density is in better agreement with photoemission data. Lastly, these results establish the importance of electronic correlations in this ferromagnet.},
doi = {10.1103/PhysRevB.93.144404},
journal = {Physical Review B},
number = 14,
volume = 93,
place = {United States},
year = {2016},
month = {4}
}

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    Works referencing / citing this record:

    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

    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