A first-principles study on the origin of magnetism induced by intrinsic defects in monolayer SnS<sub>2</sub>

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A first-principles study on the origin of magnetism induced by intrinsic defects in monolayer SnS₂

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作者：Lili Sun^a ; Wei Zhou^a ; Yanyu Liu^a ; Yilin Lu^a ; Yinghua Liang^b ; Ping Wu^a ; ^{pingwu@tju.edu.cn" class="auth_mail" title="E-mail the corresponding author}
关键词：Intrinsic defects ; Monolayer SnS2 ; Density functional theory ; Electronic properties ; Magnetic properties
刊名：Computational Materials Science
出版年：2017
出版时间：January 2017
年：2017
卷：126
期：Complete
页码：52-58
全文大小：1981 K

文摘

•: The S vacancy defect is most likely to form under the Sn-rich conditions.
•: The S-on-Sn anti-site defect is most likely to form under the S-rich conditions.
•: The S-on-Sn anti-site in monolayer SnS₂ can realize p-type semiconductor behavior.
•: 20">The Sn vacancy, Sn-on-S anti-site and S adsorption defects can induce magnetism.
•: 25">The room temperature ferromagnetism is available in S adsorption structure.

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