Abstract
2D layered Fe3GeTe2 has attracted increasing attention due to its high magnetic ordering temperature and novel physical properties. Lattice dynamics is a fundamental property of Fe3GeTe2, and its relationships with the number of layers and interlayer spin ordering have not yet been explored in depth. Here, by first-principles density functional theory calculations, the phonon vibrations and Raman intensities of Fe3GeTe2 are systematically studied from the bulk to monolayer structures. Furthermore, the spin-phonon coupling effect is investigated by considering different interlayer magnetic orderings: ferromagnetic and antiferromagnetic. It is found that the frequencies of Raman modes in Fe3GeTe2 exhibit considerable dependence on the layer number and spin ordering. The results not only reveal the notable spin-phonon interactions in Fe3GeTe2, but also demonstrate that Raman modes can be utilized for characterizing the sample thickness and interlayer spin ordering in this 2D magnet.
| Original language | English |
|---|---|
| Article number | 2001159 |
| Journal | Advanced Electronic Materials |
| Volume | 7 |
| Issue number | 7 |
| DOIs | |
| State | Published - Jul 2021 |
Funding
This research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. The authors used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. The authors also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. DOE under Contract No. DE-AC02-05CH11231. Notice: This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). This research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. The authors used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE‐AC05‐00OR22725. The authors also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. DOE under Contract No. DE‐AC02‐05CH11231.
| Funders | Funder number |
|---|---|
| CADES | |
| DOE Public Access Plan | |
| Data Environment for Science | |
| United States Government | |
| U.S. Department of Energy | DE‐AC02‐05CH11231, DE‐AC05‐00OR22725 |
| Office of Science |
Keywords
- 2D magnets
- Fe GeTe
- Raman modeling
- density functional theory
- lattice dynamics