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Title: Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2

Abstract

Computationally characterizing magnetic properies of novel two-dimensional (2D) materials serves as an important first step of exploring possible applications. Using density-functional theory, we show that single-layer Fe 3 GeTe 2 is a potential 2D material with sufficiently low formation energy to be synthesized by mechanical exfoliation from the bulk phase with a van der Waals layered structure. In addition, we calculated the phonon dispersion demonstrating that single-layer Fe 3 GeTe 2 is dynamically stable. Furthermore, we find that similar to the bulk phase, 2D Fe 3 GeTe 2 exhibits amagnetic moment that originates from a Stoner instability. In contrast to other 2D materials, we find that single-layer Fe 3 GeTe 2 exhibits a significant uniaxial magnetocrystalline anisotropy energy of 920μ eV per Fe atom originating from spin-orbit coupling. In conclusion, we show that applying biaxial tensile strains enhances the anisotropy energy, which reveals strong magnetostriction in single-layer Fe 3 GeTe 2 with a sizable magneostrictive coefficient. Our results indicate that single-layer Fe 3 GeTe 2 is potentially useful for magnetic storage applications.

Authors:
 [1];  [2];  [3]
  1. Princeton Univ., NJ (United States). Dept. of Mechanical and Aerospace Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science and Mathematics Division
  3. Univ. of Florida, Gainesville, FL (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC); National Science Foundation (NSF)
OSTI Identifier:
1261401
Alternate Identifier(s):
OSTI ID: 1245884
Grant/Contract Number:  
AC05-00OR22725; DMR-1056587; TG-DMR140067
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 93; Journal Issue: 13; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Zhuang, Houlong L., Kent, P. R. C., and Hennig, Richard G. Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe3GeTe2. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.93.134407.
Zhuang, Houlong L., Kent, P. R. C., & Hennig, Richard G. Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe3GeTe2. United States. doi:10.1103/PhysRevB.93.134407.
Zhuang, Houlong L., Kent, P. R. C., and Hennig, Richard G. Wed . "Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe3GeTe2". United States. doi:10.1103/PhysRevB.93.134407. https://www.osti.gov/servlets/purl/1261401.
@article{osti_1261401,
title = {Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe3GeTe2},
author = {Zhuang, Houlong L. and Kent, P. R. C. and Hennig, Richard G.},
abstractNote = {Computationally characterizing magnetic properies of novel two-dimensional (2D) materials serves as an important first step of exploring possible applications. Using density-functional theory, we show that single-layer Fe3GeTe2 is a potential 2D material with sufficiently low formation energy to be synthesized by mechanical exfoliation from the bulk phase with a van der Waals layered structure. In addition, we calculated the phonon dispersion demonstrating that single-layer Fe3GeTe2is dynamically stable. Furthermore, we find that similar to the bulk phase, 2D Fe3GeTe2 exhibits amagnetic moment that originates from a Stoner instability. In contrast to other 2D materials, we find that single-layer Fe3GeTe2 exhibits a significant uniaxial magnetocrystalline anisotropy energy of 920μ eV per Fe atom originating from spin-orbit coupling. In conclusion, we show that applying biaxial tensile strains enhances the anisotropy energy, which reveals strong magnetostriction in single-layer Fe3GeTe2 with a sizable magneostrictive coefficient. Our results indicate that single-layer Fe3GeTe2 is potentially useful for magnetic storage applications.},
doi = {10.1103/PhysRevB.93.134407},
journal = {Physical Review B},
number = 13,
volume = 93,
place = {United States},
year = {2016},
month = {4}
}

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Cited by: 11 works
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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
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    • Stahl, Juliane; Shlaen, Evgeniya; Johrendt, Dirk
    • Zeitschrift für anorganische und allgemeine Chemie, Vol. 644, Issue 24
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    • Stahl, Juliane; Shlaen, Evgeniya; Johrendt, Dirk
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