Structures of dislocations in GaAs and their modification by impurities
- 15 December 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 50 (23), 17717-17720
- https://doi.org/10.1103/physrevb.50.17717
Abstract
Local density functional theory is used to show that both α and β dislocations in GaAs are reconstructed. This is done by relaxing large 158-atom H-terminated clusters of GaAs containing 90° partial dislocations. The reconstruction is strongly influenced by impurities: acceptor pairs destroy the reconstruction of β partials but strengthen it for α dislocations. Donors have opposite effects. The implication of these results for the pinning of dislocations in GaAs is discussed.Keywords
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