Do Arsenic Interstitials Really Exist in As-Rich GaAs?

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2001
Major/Subject
Mcode
Degree programme
Language
en
Pages
045504/1-4
Series
Physical Review Letters, Volume 87, Issue 4
Abstract
To investigate the lattice distortion caused by point defects in As-rich GaAs, we make use of a self-consistent-charge density-functional based tight-binding method. Both relevant defects, the As antisite and the As interstitial, cause significant lattice distortion. In contrast to As interstitials, isolated As antisites lead to lattice strain as well as displacement of nearest neighbor As lattice atoms into the ⟨110⟩ channels, in excellent agreement with experiments. Therefore, our result gives powerful evidence for As antisites being the dominating defect in as-grown As-rich GaAs.
Description
Keywords
As-rich GaAs, point defects, lattice distortion
Other note
Citation
Staab, T. E. M. & Nieminen, Risto M. & Gebauer, J. & Krause-Rehberg, R. & Luysberg, M. & Haugk, M. & Frauenheim, Th.. 2001. Do Arsenic Interstitials Really Exist in As-Rich GaAs?. Physical Review Letters. Volume 87, Issue 4. 045504/1-4. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.87.045504.