文章基本信息

标题：Electronic and magnetism properties of two-dimensional stacked nickel hydroxides and nitrides
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作者：Xiao-Lin Wei ; Zhen-Kun Tang ; Gen-Cai Guo 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2015
卷号：5
DOI：10.1038/srep11656
出版社：Springer Nature
摘要：Two-dimensional (2D) layered materials receive a lot of attention because of their outstanding intrinsic properties and wide applications. In this work, the structural, electronic and magnetic properties of nickel hydroxides (Ni(OH)₂) and nitrides XN (X = B, Al, and Ga) heterostructures are studied by first-principles calculations. The results show that the pristine monolayer Ni(OH)₂ owns no macro magnetism with antiferromagnetic (AFM) coupling between two nearest Ni atoms, the electronic structure can be modulated through the heterostructures. The Ni(OH)₂-GaN and Ni(OH)₂-AlN heterostructures retain the AFM coupling, while Ni(OH)₂-BN heterostructure have a larger magnetic moment with ferromagnetic (FM) coupling. The complete electron–hole separation is found in the Ni(OH)₂-GaN heterostructure. The tunable electronic and magnetic properties of the Ni(OH)₂-XN heterostructures open a new door to design the spintronic devices in the 2D stacked nanostructures.