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Band offsets at the Si/SiO2 interface from many-body perturbation theory.

Abstract:

We use many-body perturbation theory, the state-of-the-art method for band-gap calculations, to compute the band offsets at the Si/SiO2 interface. We examine the adequacy of the usual approximations in this context. We show that (i) the separate treatment of band structure and potential lineup contributions, the latter being evaluated within density-functional theory, is justified, (ii) most plasmon-pole models lead to inaccuracies in the absolute quasiparticle corrections, (iii) vertex corre...

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Publication status:
Published

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Authors


Shaltaf, R More by this author
Rignanese, GM More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Pasquarello, A More by this author
Journal:
Physical review letters
Volume:
100
Issue:
18
Pages:
186401
Publication date:
2008-05-05
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
URN:
uuid:cc6bfab4-3616-4f49-a00c-bafc41da9a0d
Source identifiers:
172960
Local pid:
pubs:172960
Language:
English

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