title: Phosphine dissociation on the Si(001) surface.
abstract: Density functional calculations are performed to identify features observed in STM experiments after phosphine (PH3) dosing of the Si(001) surface. On the basis of a comprehensive survey of possible structures, energetics, and simulated STM images, three prominent STM features are assigned to structures containing surface bound PH2, PH, and P, respectively. Collectively, the assigned features outline for the first time a detailed mechanism of PH3 dissociation and P incorporation on Si(001).
authors.affiliation: Centre for Quantum Computer Technology, School of Physics, The University of Sydney, Sydney 2006, NSW Australia.
authors.forename: H F
authors.initials: HF
authors.lastname: Wilson
authors.forename: O
authors.initials: O
authors.lastname: Warschkow
authors.forename: N A
authors.initials: NA
authors.lastname: Marks
authors.forename: S R
authors.initials: SR
authors.lastname: Schofield
authors.forename: N J
authors.initials: NJ
authors.lastname: Curson
authors.forename: P V
authors.initials: PV
authors.lastname: Smith
authors.forename: M W
authors.initials: MW
authors.lastname: Radny
authors.forename: D R
authors.initials: DR
authors.lastname: McKenzie
authors.forename: M Y
authors.initials: MY
authors.lastname: Simmons