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

Nano and Molecular Systems Research Unit, University of Oulu, P.O. Box 3000, FIN-90014 Oulu, Finland
School of Mechanical and Automotive Engineering, Anhui Polytechnic University, Wuhu 241000, China
College of Chemistry, Key Lab of Environment Friendly Chemistry and Application in Ministry of Education, Xiangtan University, Yuhu District, Xiangtan 411105, China
Department of Physics, East China University of Science and Technology, Meilong Road 130, Shanghai 200237, China
Authors to whom correspondence should be addressed.
Crystals 2018, 8(1), 24;
Received: 11 November 2017 / Revised: 6 December 2017 / Accepted: 4 January 2018 / Published: 7 January 2018
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. View Full-Text
Keywords: two-dimensional; inorganic layered crystals; magnetism; first-principles calculation two-dimensional; inorganic layered crystals; magnetism; first-principles calculation
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Shi, X.; Huang, Z.; Huttula, M.; Li, T.; Li, S.; Wang, X.; Luo, Y.; Zhang, M.; Cao, W. Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects. Crystals 2018, 8, 24.

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