Phosphine dissociation on the Si(001) surface

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 struct...

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Veröffentlicht in:	Physical review letters 2004-11, Vol.93 (22), p.226102.1-226102.4, Article 226102
Hauptverfasser:	WILSON, H. F, WARSCHKOW, O, MARKS, N. A, SCHOFIELD, S. R, CURSON, N. J, SMITH, P. V, RADNY, M. W, MCKENZIE, D. R, SIMMONS, M. Y
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Electron, ion, and scanning probe microscopy Exact sciences and technology Physics Scanning probe microscopy: scanning tunneling, atomic force, scanning optical, magnetic force, etc Solid surfaces and solid-solid interfaces Structure of solids and liquids crystallography Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties)
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Beschreibung
Zusammenfassung:	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).
ISSN:	0031-9007 1079-7114
DOI:	10.1103/physrevlett.93.226102