Positron 2D-ACAR study of divacancies in Si: Experiments and theory

M. Hasegawa, Z. Tang, T. Chiba, M. Saito, A. Kawasuso, T. Akahane, Z. Q. Li, Y. Kawazoe, S. Yamaguchi

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2 Citations (Scopus)


Two-dimensional angular correlation of annihilation (2D-ACAR) for divacancies in Si with definite charge states (V20, V21- and V22-) are studied theoretically and experimentally. The 2D-ACAR for the various charge states shows almost isotropic and very close to each other. However, using a specimen with aligned divacancies (V21-), we have obtained a small but definite anisotropy in the 2D-ACAR. All these features are well reproduced by first principles calculations based on the two-component density-functional theory. Furthermore calculated anisotropies for the different charge states show systematic changes arising from the bonding character of the divacancy electrons. Theoretical 2D-ACAR is also presented for monovacancies. The present calculation and experiment demonstrate that the 2D-ACAR is an effective tool to provide microscopic information about vacancy-type defects.

Original languageEnglish
Pages (from-to)414-416
Number of pages3
JournalMaterials Science Forum
Publication statusPublished - 1997


  • 2D-ACAR
  • Divacancies
  • First-Principles Calculation
  • Positron Annihilation
  • Si
  • Vacancies


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