The divacancy in silicon and diamond

Coomer, B.J.; Resende, A.; Goss, Jonathan P.; Jones, R.; Öberg, Sven; Briddon, P.R.

doi:10.1016/s0921-4526(99)00543-8

Cited by 41 publications

(42 citation statements)

References 6 publications

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“…This has led to a challenge by the theorists involved as to whether the interpretation of the EPR results were correct. Quite recently, however, the correct results for the two defects have finally been obtained in such calculations when very large clusters were used to allow the near and participating distant neighbors to relax more realistically [9][10][11], hopefully ending the controversy.…”

Section: Introductionmentioning

confidence: 99%

Understanding the Jahn–Teller distortions for the divacancy and the vacancy–group-V-atom pair in silicon

Watkins¹

2006

Physica B: Condensed Matter

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Section: Introductionmentioning

confidence: 99%

Understanding the Jahn–Teller distortions for the divacancy and the vacancy–group-V-atom pair in silicon

Watkins¹

2006

Physica B: Condensed Matter

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“…Such a configuration also agrees with theory. 9 The divacancy gives rise to the optical-absorption band TH5 at 2.543 eV, and anneals out 10 at about 900°C. It is widely accepted that large impurity atoms, like Si, P, Co, Ni, etc., preferably occupy the center of a divacancy in diamond.…”

Section: Introductionmentioning

confidence: 99%

ESR and optical evidence for a Ni vacancy center in CVD diamond

et al. 2000

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Characterization of a series of correlated electron-spin resonance ͑ESR͒ and photoluminescence ͑PL͒ lines in diamond grown by chemical vapor deposition is reported. The series consists of a set of structured PL bands in the range 1.8-2.3 eV, and ESR lines due to an Sϭ1 center with gϭ2.0039(1) and Dϭ35.8(1) mT at 300 K. PL lines are shown to originate from a defect center with the ground state at 2.24 eV below the conduction band, and with several excited states. The whole set of data can be interpreted in terms of a defect containing a neutral interstitial Ni atom at the center of a divacancy.

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“…Even using larger supercells, other calculations appear to agree with Oshiyama's 'resonant bonding' model [85]. Cluster-based calculations [88] currently underway, however, support the original pairing model for both charge states.…”

Section: N H M Defects In Siliconmentioning

confidence: 77%