• 文献标题:   Graphene-like monolayer InSe-X: several promising half-metallic nanosheets in spintronics
  • 文献类型:   Article
  • 作  者:   LIU J, KANG W, ZHOU TY, MA CG
  • 作者关键词:   graphenelike nanosheet, halfmetallic 2d monolayer, spintronic, magnetic electric propertie
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:   Chongqing Univ Posts Telecommun
  • 被引频次:   2
  • DOI:   10.1088/1361-648X/aab4db
  • 出版年:   2018

▎ 摘  要

Several half-metallic graphene-like nanosheets, namely halogen atom adsorbed InSe-X (X = F, Cl, Br and I) nanosheets, are predicted by first-principles calculations. Then, their structural, electric and magnetic properties are studied in detail. The calculated negative adsorption energies of these InSe-X nanosheets ensure that they attain stable adsorption structures, which suggests that they may be prepared experimentally. The pristine InSe monolayer is a typical semi-conductor, whereas it is interesting that the X ion (X = F, Cl, Br and I) adsorbed InSe-X nanosheets are electronically conductive. They can be promising and good candidates for applications of half-metallic 2D materials. The calculated magnetic moments of these nanosheets are close to 1.0 mu B. In the InSe-F nanosheet, there are sp(2) hybridized orbitals due to the crystal field effect, and its electroconductibility, half-metallicity and magnetic moments originate from the In and Se ions, not the F ion. However, in InSe-X (X = Cl, Br and I) nanosheets, there are sp(3) hybridized orbitals, and their electroconductibility, half-metallicity and magnetic moments originate mainly from X ions, together partially with the In and Se ions.