Nonlinear susceptibility of second harmonic generation corresponded to the diamond (100) surface structures

Changyong Xiao, Mikka Nishitani-Gamo, Yafei Zhang, Hiroyuki Tamura, Hui Zhou, Seiichi Takami, Momoji Kubo, Akira Miyamoto, Toshihiro Ando

Research output: Contribution to journalArticle

Abstract

In order to investigate the relation between the diamond (100) surface structures and their nonlinear susceptibility of second harmonic generation (SHG), we optimized the surface geometries and calculated their electronic structures by using a semiempirical method of quantum chemistry with cluster models. The optimized geometries agreed well with experimental results. The diamond (100)-(1 × 1)-2H surface showed the minimum value of the surface SHG among the optimized geometries of the diamond surface. Decrease of the chemisorbed hydrogen on the surface resulted in increase of the surface SHG. The existence of surface dimers can enhance the surface SHG.

Original languageEnglish
Pages (from-to)1845-1848
Number of pages4
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume39
Issue number4 A
Publication statusPublished - 2000 Dec 1

Keywords

  • Diamond
  • Quantum chemistry
  • Second harmonic generation
  • Surface dimer
  • Susceptibility

ASJC Scopus subject areas

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

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