文献类型：期刊文献

英文题名：Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects

作者：Shi, Xinying[1];Huang, Zhongjia[2];Huttula, Marko[1];Li, Taohai[3];Li, Suya[4];Wang, Xiao[4];Luo, Youhua[4];Zhang, Meng[4];Cao, Wei[1]

机构：[1]Univ Oulu, Nano & Mol Syst Res Unit, POB 3000, FIN-90014 Oulu, Finland;[2]Anhui Polytech Univ, Sch Mech & Automot Engn, Wuhu 241000, Peoples R China;[3]Xiangtan Univ, Minist Educ, Coll Chem, Key Lab Environm Friendly Chem & Applicat, Xiangtan 411105, Peoples R China;[4]East China Univ Sci & Technol, Dept Phys, Meilong Rd 130, Shanghai 200237, Peoples R China

年份：2018

卷号：8

期号：1

外文期刊名：CRYSTALS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000424109000022)】；

基金：This work is financially supported by Oulu University Strategic Grant, and the National Natural Science Foundation of China (Grant Nos. 11204079, 21303054, 21601149), European Regional Development Grant and Oulu Council, and the Fundamental Research Funds for the Central Universities (Nos. 222201714050, 222201714018). X.S. acknowledges a scholarship sponsored by China Scholarship Council. With great thanks, the authors acknowledge S. Ulloa and A. Avalos-Ovando from Ohio University for fruitful discussions on the magnetisms in doped systems, and J.-Z. Zhang from East China University of Science and Technology for his guidance in the theoretical physics.

语种：英文

外文关键词：two-dimensional; inorganic layered crystals; magnetism; first-principles calculation

摘要：Pioneering explorations of the two-dimensional (2D) inorganic layered crystals (ILCs) in electronics have boosted low-dimensional materials research beyond the prototypical but semi-metallic graphene. Thanks to species variety and compositional richness, ILCs are further activated as hosting matrices to reach intrinsic magnetism due to their semiconductive natures. Herein, we briefly review the latest progresses of manipulation strategies that introduce magnetism into the nonmagnetic 2D and quasi-2D ILCs from the first-principles computational perspectives. The matrices are concerned within naturally occurring species such as MoS2, MoSe2, WS2, BN, and synthetic monolayers such as ZnO and g-C2N. Greater attention is spent on nondestructive routes through magnetic dopant adsorption; defect engineering; and a combination of doping-absorbing methods. Along with structural stability and electric uniqueness from hosts, tailored magnetic properties are successfully introduced to low-dimensional ILCs. Different from the three-dimensional (3D) bulk or zero-dimensional (0D) cluster cases, origins of magnetism in the 2D space move past most conventional physical models. Besides magnetic interactions, geometric symmetry contributes a non-negligible impact on the magnetic properties of ILCs, and surprisingly leads to broken symmetry for magnetism. At the end of the review, we also propose possible combination routes to create 2D ILC magnetic semiconductors, tentative theoretical models based on topology for mechanical interpretations, and next-step first-principles research within the domain.