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

Zhuang, Houlong L.; Kent, P. R.  C.; Hennig, Richard G.

doi:10.1103/PhysRevB.93.134407

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

Journal Article · Wed Apr 06 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.93.134407· OSTI ID:1261401

Zhuang, Houlong L. ^[1]; Kent, P. R. C. ^[2]; Hennig, Richard G. ^[3]

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)
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
Univ. of Florida, Gainesville, FL (United States). Dept. of Materials Science and Engineering

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.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725; DMR-1056587; TG-DMR140067

OSTI ID:: 1261401

Alternate ID(s):: OSTI ID: 1245884

Journal Information:: Physical Review B, Vol. 93, Issue 13; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 178 works

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