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Role of orbital overlap in atomic manipulation

Research output: Contribution to journalJournal articlepeer-review

  • Samuel Jarvis
  • Adam Sweetman
  • Joseph Bamidele
  • Lev Kantorovich
  • Philip Moriarty
Article number235305
<mark>Journal publication date</mark>7/06/2012
<mark>Journal</mark>Physical review B
Issue number23
Number of pages5
Publication StatusPublished
<mark>Original language</mark>English


We conduct ab initio simulations illustrating that the ability to achieve atomic manipulation using a dynamic force microscope depends on the precise orientation of the dangling bond(s) at the tip apex and their charge density with respect to those of surface atoms. Using the Si(100)-c(4 x 2) surface as a prototype, we demonstrate that it is possible to select tip apices capable of performing atomic manipulation tasks which are unachievable using another choice of apex. Specific tip apices can be identified via examination of F(z) curves taken at different lateral positions.