• 文献标题:   Mapping Atomic Orbitals with the Transmission Electron Microscope: Images of Defective Graphene Predicted from First-Principles Theory
  • 文献类型:   Article
  • 作  者:   PARDINI L, LOFFLER S, BIDDAU G, HAMBACH R, KAISER U, DRAXL C, SCHATTSCHNEIDER P
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007 EI 1079-7114
  • 通讯作者地址:   Humboldt Univ
  • 被引频次:   2
  • DOI:   10.1103/PhysRevLett.117.036801
  • 出版年:   2016

▎ 摘  要

Transmission electron microscopy has been a promising candidate for mapping atomic orbitals for a long time. Here, we explore its capabilities by a first-principles approach. For the example of defected graphene, exhibiting either an isolated vacancy or a substitutional nitrogen atom, we show that three different kinds of images are to be expected, depending on the orbital character. To judge the feasibility of visualizing orbitals in a real microscope, the effect of the optics' aberrations is simulated. We demonstrate that, by making use of energy filtering, it should indeed be possible to map atomic orbitals in a state-of-the-art transmission electron microscope.