Structures of dislocations in GaAs and their modification by impurities
1994 (English)In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 50, 17717-17720 p.Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
1994. Vol. 50, 17717-17720 p.
Research subject Scientific Computing
IdentifiersURN: urn:nbn:se:ltu:diva-7445DOI: 10.1103/PhysRevB.50.17717Local ID: 5d355bb0-12ed-11dd-ada4-000ea68e967bOAI: oai:DiVA.org:ltu-7445DiVA: diva2:980334
Godkänd; 1994; 20080425 (ysko)2016-09-292016-09-29Bibliographically approved