文献类型：期刊文献

英文题名：Quantum anomalous Hall effect with high Chern numbers in functionalized square-octagon Sb monolayers

作者：Bao, Hairui[1,2,3];Zhao, Bao[1,2,3,5];Zhang, Jiayong[6];Xue, Yang[7];Zhou, Tong[8];Yang, Zhongqin[1,2,3,4]

机构：[1]Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China;[2]Fudan Univ, Key Lab Computat Phys Sci MOE, Shanghai 200433, Peoples R China;[3]Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China;[4]Shanghai Qi Zhi Inst, Shanghai 200030, Peoples R China;[5]Liaocheng Univ, Sch Phys Sci & Informat Technol, Shandong Key Lab Opt Commun Sci & Technol, Liaocheng 252059, Peoples R China;[6]Suzhou Univ Sci & Technol, Sch Phys Sci & Technol, Jiangsu Key Lab Micro & Nano Heat Fluid Flow Techn, Suzhou 215009, Peoples R China;[7]East China Univ Sci & Technol, Sch Sci, Shanghai 200237, Peoples R China;[8]Univ Buffalo State Univ New York, Dept Phys, Buffalo, NY 14260 USA

年份：2023

卷号：10

期号：3

外文期刊名：2D MATERIALS

收录：;EI(收录号：20231914065811);WOS:【SCI-EXPANDED(收录号:WOS:000974064800001)】；

基金：AcknowledgmentsThis work was supported by National Natural Science Foundation of China under Grants Nos. 12174059, 11874117, 11604134, and 11904101 and Natural Science Foundation of Shanghai under Grant No. 21ZR1408200. The calculations were performed at the High-Performance Computational Center (HPCC) of the Department of Physics at Fudan University.

语种：英文

外文关键词：quantum anomalous Hall effect; high Chern number; square-octagon Sb

摘要：The quantum anomalous Hall (QAH) effect has attracted continuous attention due to its intriguing properties and potential applications in future electronics. Here, we present our investigation of the electronic and topological properties of a square-octagon Sb monolayer with Mo atoms adsorbed (Mo@so-Sb) using first-principles calculations. Our studies reveal how a trivial insulator can be first engineered into an unusual bipolar magnetic semiconductor (BMS) and then further tuned by strain into a spintronics-favorable half semiconductor (HS) or half metal. Remarkably, with 3.7% compressive strain applied, we achieve a QAH state in Mo@so-Sb with a high Chern number (C = 4) which is much larger than that (C = +/- 1 or +/- 2) of the previously predicted Chern insulators. This QAH state is characterized by the appearance of four gapless chiral edge states within the nontrivial band gap, enabling a robust multi-channel low-power-consumption transport. Its nontrivial topology primarily originates from the band inversion between the non-degenerate Mo 4d and Sb 5p orbitals. Additionally, we demonstrate the interesting BMS, HS, and QAH states can be controlled by the Mo adsorption concentrations. Our findings not only provide a versatile means of transforming trivial insulators into the desired spintronics-favorable and topological states, but also open new possibilities for high-performance electronic devices.