University of Oulu

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.

Introducing magnetism into 2D nonmagnetic inorganic layered crystals : a brief review from first-principles aspects

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Author: Shi, Xinying1; Huang, Zhongjia2; Huttula, Marko1;
Organizations: 1Nano and Molecular Systems Research Unit, University of Oulu
2School of Mechanical and Automotive Engineering, Anhui Polytechnic University
3College of Chemistry, Key Lab of Environment Friendly Chemistry and Application in Ministry of Education, Xiangtan University
4Department of Physics, East China University of Science and Technology
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 3.9 MB)
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Language: English
Published: Multidisciplinary Digital Publishing Institute, 2018
Publish Date: 2018-02-15


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.

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Series: Crystals
ISSN: 2073-4352
ISSN-E: 2073-4352
ISSN-L: 2073-4352
Volume: 8
Issue: 1
Article number: 24
DOI: 10.3390/cryst8010024
Type of Publication: A2 Review article in a scientific journal
Field of Science: 114 Physical sciences
116 Chemical sciences
216 Materials engineering
Funding: 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.
Copyright information: © 2018 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.