Strain modulation of magnetic coupling in the metallic van der waals magnet Fe3GeTe2. (April 2021)

• Record Type: Journal Article
• Authors: Zhu, Mengmei; You, Yurong; Xu, Guizhou; Tang, Jiaxuan; Gong, Yuanyuan; Xu, Feng
• Is Part Of: Intermetallics. Volume 131(2021)
• Publication Date: 2021-04
• Subjects: Van der Waals magnet -- Magnetic properties -- Exchange interactions -- First-principles calculations; Intermetallic compounds -- Metallography -- Periodicals; Metallic glasses -- Periodicals; Composés intermétalliques -- Métallographie -- Périodiques; 669.94
• DOI: 10.1016/j.intermet.2021.107085
• Languages: English
• ISSNs: 0966-9795

Abstract

Abstract: We investigated the strain modulation of the magnetic states and interatomic exchange interactions in layered van der Waals magnet Fe3 GeTe2 by detailed first-principles studies. The energy-minimum calculations demonstrate the ground state of bulk Fe3 GeTe2 is weak antiferromagnetic coupling, in contrast to most precious reports, and it can be modulated to ferromagnetic coupling under small a -axis distortion (~2%). More importantly, we obtained the variation of exchange coupling parameters J ij and Curie temperature TC under both uniaxial and isotropic strain, and found the TC can be enhanced to room temperature in the case of uniaxial lattice distortion, especially along the a -axis. Our work clarified the role of intra- and inter-layer magnetic coupling in tuning of the ground state magnetism that can be generally applied in two-dimensional layered materials and suggested a paradigm for tuning TC with uniaxial strain in Fe3 GeTe2 . Highlights: The ground state of Fe3 GeTe2 can be tuned from antiferromagnetic to ferromagnetic coupling under small a -axis distortion (~2%). The interatomic magnetic coupling in bulk Fe3 GeTe2 is systematically studied and discussed. The Curie temperature of Fe3 GeTe2 can be enhanced to room temperature under a -axis distortion.