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Simulation of Vacancy Cluster Formation and Binding Energies in Single Crystal Germanium

Published online by Cambridge University Press:  21 April 2011

Piotr Spiewak ,
Krzysztof Jan Kurzydlowski ,
Jan Vanhellemont ,
Piotr Wabinski ,
Krzysztof Mlynarczyk  and
Igor Romandic
Piotr Spiewak
Affiliation:
Materials Design Division, Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, Warsaw, 02-507, Poland Umicore, Ludwiki 4, Warsaw, 01-226, Poland
Krzysztof Jan Kurzydlowski
Affiliation:
Materials Design Division, Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, Warsaw, 02-507, Poland
Jan Vanhellemont
Affiliation:
Department of Solid State Sciences, Ghent University, Krijgslaan 281 S1, Ghent, B-9000, Belgium
Piotr Wabinski
Affiliation:
Umicore, Ludwiki 4, Warsaw, 01-226, Poland
Krzysztof Mlynarczyk
Affiliation:
Umicore, Ludwiki 4, Warsaw, 01-226, Poland
Igor Romandic
Affiliation:
Umicore EOM, Watertorenstraat 33, Olen, B-2250, Belgium
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Abstract

Results are presented of the simulation of the properties of vacancy clusters in single crystal germanium. Classical molecular dynamics calculations based on a Stillinger and Weber potential were used in a theoretical investigation of different growth patterns of vacancy clusters Vi . The formation and binding energies of vacancy clusters have been studied in the range 1 ≤ i ≤ 35. The energetically favourable growth mode and an estimate of the effective surface energy was determined for a vacancy clusters containing up to 35 vacancies

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