- Title
- Molecular dissociation of group-V hydrides on Si(001)
- Creator
- McDonell, T. L.; Marks, N. A.; Warschkow, O.; Wilson, H. F.; Smith, P. V.; Radny, M. W.
- Relation
- Physical Review B Vol. 72, Issue 19
- Publisher Link
- http://dx.doi.org/10.1103/PhysRevB.72.193307
- Publisher
- American Physical Society
- Resource Type
- journal article
- Date
- 2005
- Description
- We present a comparative ab initio survey of possible dissociation products of NH₃, PH₃, and AsH₃ on the Si(001) surface. In agreement with previous studies, we find that the relative energetics of XH₃ and XH₂ species (X=N, P , As) are common across all three systems. In contrast, the energetics of the onward dissociation into XH and X species differs markedly between nitrogen on the one hand, and phosphorus and arsenic on the other.
- Subject
- Si(001); ab initio survey; dissociation; XH₃; XH₂
- Identifier
- http://hdl.handle.net/1959.13/34051
- Identifier
- uon:3507
- Identifier
- ISSN:1098-0121
- Language
- eng
- Full Text
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