Molecular dissociation of group-V hydrides on Si(001) | NOVA. The University of Newcastle's Digital Repository

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Please use this identifier to cite or link to this item: http://hdl.handle.net/1959.13/34051

Title: Molecular dissociation of group-V hydrides on Si(001)
Author/Creator: McDonell, T. L.; Marks, N. A.; Warschkow, O.; Wilson, H. F.; Smith, P. V.; Radny, M. W.
Institution: The University of Newcastle. Faculty of Engineering & Built Environment, School of Engineering
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.
Relation: Physical Review B Vol. 72, Issue 19
Publisher Link: http://dx.doi.org/10.1103/PhysRevB.72.193307
Date: 2005
Publisher: American Physical Society
Keyword(s): Si(001); ab initio survey; dissociation; XH₃; XH₂
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/34051
Identifier: ISSN:1098-0121

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