SKM 2021 – scientific programme
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MA: Fachverband Magnetismus
MA 4: Spin-Dependent 2D Phenomena
MA 4.3: Talk
Tuesday, September 28, 2021, 10:45–11:00, H5
Photocurrents in single-layer Fe3GeTe2 from first principles — •Maximilian Merte1,2,3, Frank Freimuth3,1, Theodoros Adamantopoulos1, Dongwook Go3,1, Tom Saunderson3,1, Matthias Kläui3, Stefan Blügel1, and Yuriy Mokrousov1,3 — 1Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany — 2Department of Physics, RWTH Aachen University, 52056 Aachen, Germany — 3Institute of Physics, Johannes Gutenberg University Mainz, 55099 Mainz, Germany
We present a method for calculating laser induced currents [1], which are of second order in the electric field, by means of Wannier interpolation. Our method can be applied as a post-processing tool to the wannier90code [2], which is compatible with many ab-initio codes. We apply the developed method to study photocurrents in a single-layer of the van der Waals layered crystal Fe3GeTe2, which act as 2D ferromagnetic metals whose properties are being intensively explored nowadays [3]. Our calculations predict a very sizeable magnitude of photocurrents in this material, whose sign and properties can be tuned by doping or by the frequency of the pulse. We also uncover the importance of the scattering effects which are naturally taken care of within the Keldysh formalism that we use as the ground framework for our method. We acknowledge funding from Deutsche Forschungsgemeinschaft (DFG) through SFB/TRR 173 and 288. Simulations were performed with computing resources granted by JARA-HPC from RWTH Aachen University and Forschungszentrum Jülich under projects jara0161, jiff40 and jias1a [4]
[1] Frank Freimuth et al., arXiv: 1710.10480 (2017)
[2] www.wannier.org
[3] Y. Deng et al., Nature 563, 94 (2018).
[4] Jülich Supercomputing Centre. (2018). JURECA: Modular supercomputer at Jülich Supercomputing Centre. Journal of large-scale research facilities, 4, A132. http://dx.doi.org/10.17815/jlsrf-4-121-1