Abstract Manipulation of the valley degree of freedom provides a new path for quantum information technology, but the real intrinsic large valley-polarization materials are rarely reported up to date. Here, we perform first-principles calculations to predict a class of 2H-phase single layer (SL) materials Lu (, Br, I) to be ideal candidates. SL-Lu are ferrovalley materials with a giant valley-polarization of 55 meV-148 meV as a result of its large spin-orbital coupling (SOC) and intrinsic ferromagnetism (FM). The magnetic transition temperatures of SL-LuI and SL-LuCl are estimated to be 89 K-124 K, with a sizable magnetic anisotropy at out-of-plane direction. Remarkably, the anomalous valley Hall effect (AVHE) can be controlled in SL-Lu when an external electric field is applied. Moreover, the intrinsic valley-polarization of SL-LuI is highly robust for biaxial strain. These findings provide a promising ferrovalley material system for the experimentation of valleytronics and subsequent applications.
(Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction))
Fund: Project supported by the Taishan Scholar Program of Shandong Province, China (Grant No. ts20190939), the Independent Cultivation Program of Innovation Team of Jinan City (Grant No. 2021GXRC043), and the National Natural Science Foundation of China (Grant No. 52173283).
Chun-Sheng Hu(胡春生), Yun-Jing Wu(仵允京), Yuan-Shuo Liu(刘元硕), Shuai Fu(傅帅),Xiao-Ning Cui(崔晓宁), Yi-Hao Wang(王易昊), and Chang-Wen Zhang(张昌文) Single-layer intrinsic 2H-phase LuX2 (X = Cl, Br, I) with large valley polarization and anomalous valley Hall effect 2023 Chin. Phys. B 32 037306
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