Abstract
Fe3-xGeTe2 is a layered van der Waals magnetic material with a relatively high ordering temperature and large anisotropy. While most studies have concluded the interlayer ordering to be ferromagnetic, there have also been reports of interlayer antiferromagnetism in Fe3-xGeTe2. Here, we investigate the interlayer magnetic ordering by neutron diffraction experiments, scanning tunneling microscopy (STM) and spin-polarized STM measurements, density functional theory plus U calculations, and STM simulations. We conclude that the layers of Fe3-xGeTe2 are coupled ferromagnetically and that in order to capture the magnetic and electronic properties of Fe3-xGeTe2 within density functional theory, Hubbard U corrections need to be taken into account.
| Original language | English |
|---|---|
| Article number | 094403 |
| Journal | Physical Review Materials |
| Volume | 4 |
| Issue number | 9 |
| DOIs | |
| State | Published - Sep 2020 |
Funding
We thank R. Fishman for valuable discussions. This research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. We 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. In addition we 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. This research used resources at the High Flux Isotope Reactor, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. Sample synthesis (A.F.M.) was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. This manuscript has been partially supported by U.S. DOE Grant No. DE-G FG02-13ER41967. ORNL is managed by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 for 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 nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.
| Funders | Funder number |
|---|---|
| CADES | |
| Data Environment for Science | |
| U.S. Department of Energy | DE-AC05-00OR22725, DE-AC02-05CH11231, FG02-13ER41967 |
| Office of Science | |
| Basic Energy Sciences | |
| Oak Ridge National Laboratory | |
| Division of Materials Sciences and Engineering | |
| UT-Battelle |