ダイヤモンド中の空格子点-Ni-空格子点欠陥に対する電子状態計算
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概要
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The fine and hyperfine structure constants for the vacancy-Ni-vacancy defect in diamond have been calculated using the density-functional theory for model clusters. The fine structure constants and ^<13>C hyperfine structure constants calculated for the NiC_42H_42 cluster are in good agreement with ones estimated from the ESR signals observed in CVD polycrystalline diamond film [K. lakoubovskii et al. : Phys. Rev. B62, 16587 (2000)]. However, the calculated ^<61>Ni hyperfine structure constant does not reproduce the observed result attributed to the hyperfine interaction with ^<61>Ni.
- 福井工業大学の論文
- 2003-03-20