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Electronic and dynamical properties of the silicon trivacancy
Department of Physics, University of Aveiro, Campus Santiago.
Photon Science Institute, University of Manchester.
Photon Science Institute, University of Manchester.
Photon Science Institute, University of Manchester.
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2012 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 86, no 17Article in journal (Refereed) Published
Abstract [en]

The trivacancy (V3) in silicon has been recently shown to be a bistable center in the neutral charge state, with a fourfold-coordinated configuration, V3[FFC], lower in energy than the (110) planar one [ V. P. Markevich et al. Phys. Rev. B 80 235207 (2009)]. Transformations of the V3 defect between different configurations, its diffusion, and disappearance upon isochronal and isothermal annealing of electron-irradiated Si:O crystals are reported from joint deep level transient spectroscopy measurements and first-principles density-functional calculations. Activation energies and respective mechanisms for V3 transformation from the (110) planar configuration to the fourfold-coordinated structure have been determined. The annealing studies demonstrate that V3 is mobile in Si at T>200 ∘C and in oxygen-rich material can be trapped by interstitial oxygen atoms so resulting in the appearance of V3O complexes. The calculations suggest that V3 motion takes place via consecutive FFC/planar transformation steps. The activation energy for the long-range diffusion of the V3 center has been derived and agrees with atomic motion barrier from the calculations

Place, publisher, year, edition, pages
2012. Vol. 86, no 17
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-7521DOI: 10.1103/PhysRevB.86.174101Local ID: 5e977217-9fe1-4a45-8593-21e6405dac31OAI: oai:DiVA.org:ltu-7521DiVA: diva2:980411
Note
Validerad; 2012; Bibliografisk uppgift: Article no 174101; 20121121 (andbra)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved

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CiteExportLink to record
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