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Title: Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe3GeTe2

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.
 [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:
Grant/Contract Number:
AC05-00OR22725; DMR-1056587; TG-DMR140067
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 93; Journal Issue: 13; Journal ID: ISSN 2469-9950
American Physical Society (APS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE; National Science Foundation (NSF)
Country of Publication:
United States
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1245884