TITLE

A theoretical study of the initial oxidation of the GaAs(001)-β2(2×4) surface

AUTHOR(S)
Scarrozza, M.; Pourtois, G.; Houssa, M.; Caymax, M.; Stesmans, A.; Meuris, M.; Heyns, M. M.
PUB. DATE
December 2009
SOURCE
Applied Physics Letters;12/21/2009, Vol. 95 Issue 25, p253504
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The early stages of the oxidation of the GaAs(001)-β2(2×4) surface are investigated theoretically by ab initio molecular dynamics simulations. An atomistic mechanism of formation of structural defects at the interface is described. The electronic properties of the GaAs/oxide interface are computed and it is found that energy levels within the bandgap are associated with the generated interfacial structural defects. These results provide an atomistic description of the nature of the defects at the origin of the Fermi level pinning in III–V’s as well as the mechanism underlying their generation.
ACCESSION #
47132816

 

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