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First principles study of GeSi exchange mechanisms at the Si(001) surface

Abstract:

Based on density functional theory calculations, we show that an isolated Ge adatom on Si(001) triggers an exchange mechanism involving three atoms, which leads to the formation of a Si adatom and a mixed SiGe surface dimer. The activation energy calculated from first principles is sufficiently low (0.8 eV) to make such a process viable down to the lowest temperature (330 K) at which intermixing was reported. A second mechanism, with a higher barrier, is also proposed and shown to possibly co...

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Publisher copy:
10.1063/1.2926683

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
Applied Physics Letters More from this journal
Volume:
92
Issue:
19
Pages:
191908-191908
Publication date:
2008-01-01
DOI:
ISSN:
0003-6951
Language:
English
Pubs id:
pubs:290898
UUID:
uuid:b6991c31-462c-46d2-b6e9-c5e80aacd0d4
Local pid:
pubs:290898
Source identifiers:
290898
Deposit date:
2012-12-20

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