Atomic charge distribution in diamondlike amorphous carbon

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7 Citations (Scopus)

Abstract

Based on semiempirical molecular orbital calculations, we propose an empirical formula for the calculation of net atomic charges in diamondlike amorphous carbon. These charges are in a linear relationship with bond angle distortions involving first and second neighbors. On the basis of the estimated charge fluctuation we predict that the integrated infrared absorption intensity will be within the range of 70000 to 120000 cm-2.

Original languageEnglish
Pages (from-to)L1149-L1151
JournalJapanese Journal of Applied Physics
Volume30
Issue number7
DOIs
Publication statusPublished - Jul 1991

Keywords

  • Amorphous carbon
  • Charge
  • Infrared absorption

ASJC Scopus subject areas

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

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