Ab initio study on the electronic states of hydrogen defects in diamond subsurfaces

Chisato Kanai, Kazuyuki Watanabe, Yuji Takakuwa

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The electronic states of hydrogen defects in the diamond subsurface have been investigated by the ab initio pseudopotential method. We found that a deep level and a shallow level near the valence band maximum in the energy band gap are generated by a hydrogen atom and hydrogen complex defects in the subsurface, respectively. The hydrogen complexes in the subsurface are found to be stable under a perfectly hydrogenated surface. The results provide a theoretical background for the experimental observations and the model on p-type surface conduction.

Original languageEnglish
Pages (from-to)3510-3513
Number of pages4
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume42
Issue number6 A
Publication statusPublished - 2003 Jun 1

Keywords

  • Ab initio calculation
  • Diamond surface
  • Hydrogen defect
  • Subsurface
  • Surface conductivity

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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