Abstract
Using ab initio tight-binding approaches, we investigate Floquet band engineering of the 1T' phase of transition metal dichalcogenides (MX2, M = W, Mo and X = Te, Se, S) monolayers under the irradiation with circularly polarized light. Our first principles calculations demonstrate that light can induce important transitions in the topological phases of this emerging materials family. For example, upon irradiation, Te-based MX2 undergoes a phase transition from quantum spin Hall (QSH) semimetal to time-reversal symmetry broken QSH insulator with a nontrivial band gap of up to 92.5 meV. On the other hand, Se- and S-based MX2 undergoes the topological phase transition from the QSH effect to the quantum anomalous Hall effect and into trivial phases with increasing light intensity. From a general perspective, this theoretical work brings further insight into non-equilibrium topological systems.
| Original language | English |
|---|---|
| Article number | 025005 |
| Journal | 2D Materials |
| Volume | 9 |
| Issue number | 2 |
| DOIs | |
| State | Published - 2022 |
Funding
We thank Mark Dean, Yue Cao, Rob Moore and Hu Miao for valuable discussions. This research was conducted at the Center for Nanophase Materials Sciences (XK, TB, LL), which is a US Department of Energy (DOE) Office of Science User Facility. Work by MY was supported by the US DOE, Office of Science, National Quantum Information Science Research Centers, Quantum Science Center. Work by WL was supported by the US DOE, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. 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. Linyang Li acknowledges financial support from the National Natural Science Foundation of China (Grant No. 12004097), the Natural Science Foundation of Hebei Province (Grant No. A2020202031), and the Foundation for the Introduced Overseas Scholars of Hebei Province (Grant No. C20200313).
| Funders | Funder number |
|---|---|
| CADES | |
| Data Environment for Science | |
| Foundation for the Introduced Overseas Scholars of Hebei Province | C20200313 |
| National Quantum Information Science Research Centers | |
| Quantum Science Center | |
| U.S. Department of Energy | DE-AC05-00OR22725 |
| Office of Science | |
| Basic Energy Sciences | |
| Division of Materials Sciences and Engineering | |
| National Natural Science Foundation of China | 12004097 |
| Natural Science Foundation of Hebei Province | A2020202031 |
Keywords
- Floquet engineering
- quantum anomalous Hall
- quantum spin Hall
- topological phase transitions
- transition metal dichalcogenides