Structures of dislocations in GaAs and their modification by impurities
Author(s) -
Peter Sitch,
R. Jones,
Sven Öberg,
M. I. Heggie
Publication year - 1994
Publication title -
physical review. b, condensed matter
Language(s) - English
Resource type - Journals
eISSN - 1095-3795
pISSN - 0163-1829
DOI - 10.1103/physrevb.50.17717
Subject(s) - impurity , condensed matter physics , partial dislocations , materials science , atom (system on chip) , acceptor , crystallography , dislocation , physics , atomic physics , quantum mechanics , chemistry , computer science , embedded system
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.Godkänd; 1994; 20080425 (ysko
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