• 文献标题:   Tuning the electronic and magnetic properties of graphene-like SiGe hybrid nanosheets by surface functionalization
  • 文献类型:   Article
  • 作  者:   ZHANG WX, WANG YB, ZHAO P, HE C
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Changan Univ
  • 被引频次:   2
  • DOI:   10.1039/c6cp04756d
  • 出版年:   2016

▎ 摘  要

In this paper, the structural, electronic and magnetic properties of fully and partially surface modified SiGe nanosheets (NSs) have been investigated using first-principles calculations based on density functional theory. The results demonstrate that the electronic and magnetic properties of SiGe NSs can be tuned by decorating H, Cl and F atoms on Si sites in SiGe NSs. It is shown that by decorating their surface with H, F, and Cl atoms, H-SiGe, F-SiGe, and Cl-SiGe NSs in FM states are predicted to behave as a semiconductor, half-metal, and metal, respectively. The diverse electronic and magnetic properties define the potential applications of SiGe nanosheets in electronics and spintronics.