Phosphine adsorption and dissociation on the Si(001) surface: an ab initio survey of structures | 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/1959.13/24676

Title: Phosphine adsorption and dissociation on the Si(001) surface: an ab initio survey of structures
Author/Creator: Warschkow, O.; Wilson, H. F.; Marks, N. A.; Schofield, S. R.; Curson, N. J.; Smith, P. V.; Radny, M. W.; McKenzie, D. R.; Simmons, M. Y.
Description: We report a comprehensive ab initio survey of possible dissociation intermediates of phosphine (PH3) on the Si(001) surface. We assign three scanning tunneling microscopy (STM) features, commonly observed in room-temperature dosing experiments, to PH2+H, PH+2H, and P+3H species, respectively, on the basis of calculated energetics and STM simulation. These assignments and a time series of STM images which shows these three STM features converting into another, allow us to outline a mechanism for the complete dissociation of phosphine on the Si(001) surface. This mechanism closes an important gap in the understanding of the doping process of semiconductor devices.
Relation: Physical Review B Vol. 72, no. 12
Publisher Link: http://dx.doi.org/10.1103/PhysRevB.72.125328
Date: 2005
Publisher: American Physical Society
Keyword(s): scanning-tunneling-microscopy; si(100) surface; wannier functions; quantum computer; ph3; silicon; phosphorus; density; photoemission; desorption
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/24676
Identifier: ISSN:1098-0121
Language: eng

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