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A first-principles study of the structural and electronic properties of III–V/thermal oxide interfaces

✍ Scribed by M. Scarrozza; G. Pourtois; M. Houssa; M. Caymax; A. Stesmans; M. Meuris; M.M. Heyns

Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
896 KB
Volume
86
Category
Article
ISSN
0167-9317

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✦ Synopsis

A theoretical study of the structural and electronic properties of the interfaces between a set of III-V compound semiconductors of technological interest and their native oxides is reported. First-principles techniques have been applied to model the reaction of oxidation of the GaAs(0 0 1)-b2(2 Â 4) surface and to generate a set of representative models of the atomic structure of a thermally grown GaAs/native oxide interface. The obtained models have been extended to the InAs/ and In 0.5 Ga 0.5 As/native oxide interfaces case. The impact of indium on both the structural changes occurring during the oxidation of the substrate and the resulting electronic properties has been quantified.

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