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  • 标题:The Interface between Gd and Monolayer MoS2: A First-Principles Study
  • 本地全文:下载
  • 作者:Xuejing Zhang ; Wenbo Mi ; Xiaocha Wang
  • 期刊名称:Scientific Reports
  • 电子版ISSN:2045-2322
  • 出版年度:2015
  • 卷号:4
  • 期号:1
  • DOI:10.1038/srep07368
  • 语种:English
  • 出版社:Springer Nature
  • 摘要:We analyze the electronic structure of interfaces between two-, four- and six-layer Gd(0001) and monolayer MoS2 by first-principles calculations. Strong chemical bonds shift the Fermi energy of MoS2 upwards into the conduction band. At the surface and interface the Gd f states shift to lower energy and new surface/interface Gd d states appear at the Fermi energy, which are strongly hybridized with the Mo 4 d states and thus lead to a high spin-polarization (ferromagnetically ordered Mo magnetic moments of 0.15 μB). Gd therefore is an interesting candidate for spin injection into monolayer MoS2.
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