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Supercell and cluster density functional calculations of the thermal stability of the divacancy in germanium

Lookup NU author(s): Professor Patrick Briddon


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Large vacancy clusters, or voids, formed during growth have been reported in Ge. The divacancy is a precursor to such clusters, and is believed to be stable up to 150 or 180 {ring operator} C. It is also believed to form in Ge irradiated at room temperature where single vacancies are mobile. Density functional theory calculations have been performed to calculate the energy barriers for migration and dissociation of the divacancy. We find the binding energy in the neutral charge state to lie in the range 1.1-1.5 eV, and this increases for more negative charge states. The migration energies were found to vary from 1.0 to 1.3 eV from the singly positive to the doubly negative state. © 2006.

Publication metadata

Author(s): Janke C, Jones R, Coutinho J, Oberg S, Briddon PR

Editor(s): Claeys, C; Peaker, T; Svensson, B; Vanhellemont, J

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: E-MRS 2006 Spring Meeting

Year of Conference: 2006

Pages: 484-488

ISSN: 1369-8001

Publisher: Materials Science in Semiconductor Processing: Pergamon


DOI: 10.1016/j.mssp.2006.08.043

Notes: Symposium T: Germanium based semiconductors from materials to devices