First-principles study of the origin of magnetism induced by intrinsic defects in monolayer MoS 2

Deliang Cao, H B Shu, T Q Wu, Z T Jiang,Z W Jiao,M Q Cai, W Y Hu

Applied Surface Science(2016)

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摘要
•Mo absorption and Mo substituted at S site induce the magnetism.•The origin of the magnetism is mainly from the Mo adatom and substitutional atom.•SMo and VMo realize the n-type and p-type semiconductor behavior, respectively.
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关键词
Intrinsic defects,Magnetism,Monolayer MoS2,First principles
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