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First-principles calculations of band offsets

1998; IOP Publishing; Volume: 10; Issue: 3 Linguagem: Inglês

10.1088/0953-8984/10/3/010

ISSN

1361-648X

Autores

X H Zhang, S. J. Chua, Shijie Xu, W. J. Fan,

Tópico(s)

Surface and Thin Film Phenomena

Resumo

The band offsets are calculated for both the Ga-As and interface bonds within first-principles local density functional theory. It is found that the band offsets are independent of the type of interfacial bond, while the valence band offset, VBO, decreases linearly with x as and the inferred conduction band offset CBO (the band-gap difference minus the valence band offset) decreases linearly as for .

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