Magnetic ground state and electron-doping tuning of Curie temperature in Fe3GeTe2 : First-principles studies
| Autor: | Lixin He, Kun Cao, Xiangang Wan, Xiangyan Bo, Zhen-Xiong Shen |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Materials science
Condensed matter physics Magnon 02 engineering and technology Neutron scattering 021001 nanoscience & nanotechnology 01 natural sciences Spectral line symbols.namesake Ferromagnetism 0103 physical sciences symbols Curie temperature Condensed Matter::Strongly Correlated Electrons van der Waals force 010306 general physics 0210 nano-technology Ground state Spin (physics) |
| Zdroj: | Physical Review B. 103 |
| ISSN: | 2469-9969 2469-9950 |
| DOI: | 10.1103/physrevb.103.085102 |
| Popis: | Intrinsic magnetic van der Waals (vdW) materials have attracted much attention, especially ${\mathrm{Fe}}_{3}{\mathrm{GeTe}}_{2}$ (FGT), which exhibits highly tunable properties. However, despite vast efforts, there are still several challenging issues to be resolved. Here, using a first-principles linear-response approach, we carry out a comprehensive investigation of both bulk and monolayer FGT. We find that although the magnetic exchange interactions in FGT are frustrated, our Monte Carlo simulations agree with the total energy calculations, confirming that the ground state of bulk FGT is indeed ferromagnetic (FM). We confirm that the Curie temperature raising under electron doping is an intrinsic effect. A tiny electron doping reduces the magnetic frustration, resulting in a significant increase of the Curie temperature. We also calculate the spin-wave dispersion, and find a small spin gap as well as a nearly flat band in the magnon spectra. These features can be compared with the future neutron scattering measurement to finally clarify the microscopic magnetic mechanism in these two-dimensional family materials. |
| Databáze: | OpenAIRE |
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