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Electronic and dynamical properties of the silicon trivacancy

Lookup NU author(s): Dr Jose Coutinho, Dr Mark Rayson, Professor Patrick Briddon


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The trivacancy (V-3) in silicon has been recently shown to be a bistable center in the neutral charge state, with a fourfold-coordinated configuration, V-3[FFC], lower in energy than the (110) planar one [V. P. Markevich et al., Phys. Rev. B 80, 235207 (2009)]. Transformations of the V-3 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 V-3 transformation from the (110) planar configuration to the fourfold-coordinated structure have been determined. The annealing studies demonstrate that V-3 is mobile in Si at T > 200 degrees 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 V-3 motion takes place via consecutive FFC/planar transformation steps. The activation energy for the long-range diffusion of the V-3 center has been derived and agrees with atomic motion barrier from the calculations.

Publication metadata

Author(s): Coutinho J, Markevich VP, Peaker AR, Hamilton B, Lastovskii SB, Murin LI, Svensson BJ, Rayson MJ, Briddon PR

Publication type: Article

Publication status: Published

Journal: Physical Review B

Year: 2012

Volume: 86

Issue: 17

Print publication date: 01/11/2012

ISSN (print): 1098-0121

ISSN (electronic): 1550-235X

Publisher: American Physical Society


DOI: 10.1103/PhysRevB.86.174101


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Funder referenceFunder name
United Kingdom Engineering and Physical Sciences Research Council
PEst-C/CTM/LA0025/2011Fundacao para a Ciencia e a Tecnologia, Portugal (FCT)
MP0901NanoTP Cost Action