A Caltech Library Service

Chlorination of hydrogen-terminated silicon (111) surfaces

Rivillon, Sandrine and Chabal, Yves J. and Webb, Lauren J. and Michalak, David J. and Lewis, Nathan S. and Halls, Mathew D. and Raghavachari, Krishnan (2005) Chlorination of hydrogen-terminated silicon (111) surfaces. Journal of the Vacuum Society of America A, 23 (4). pp. 1100-1106. ISSN 0734-2101. doi:10.1116/1.1861941.

PDF - Published Version
See Usage Policy.


Use this Persistent URL to link to this item:


Infrared absorption spectroscopy was used to investigate the chlorination of hydrogen-terminated Si(111) surfaces by three different methods: (a) exposure to a saturated solution of phosphorus pentachloride (PCl5) in chlorobenzene; (b) exposure to chlorine gas, Cl2(g), and (c) exposure to Cl2(g) under UV illumination. X-ray photoelectron spectroscopy and first principles model (clusters) calculations were used to explore the structure and dynamics of these surfaces. The infrared spectra exhibited sharp chlorine-related vibrations at 586 and 527 cm^–1. The narrow full width at half maximum of these vibrations for all three preparation methods indicated that all functionalization schemes produced a nearly complete monolayer of Cl with little surface roughening or introduction of step edges. The 527 cm^–1 mode was at a much higher frequency than might be expected for the bending vibration of Si monochloride. Theoretical calculations show, however, that this vibration involves the displacement of the top Si atom parallel to the surface, subject to a relatively stiff potential, shifting its frequency to a value fairly close to that of the Si–Cl stretching mode on a Si(111) surface.

Item Type:Article
Related URLs:
URLURL TypeDescription
Webb, Lauren J.0000-0001-9999-5500
Michalak, David J.0000-0002-1226-608X
Lewis, Nathan S.0000-0001-5245-0538
Additional Information:© 2005 American Vacuum Society. (Received 7 October 2004; accepted 20 December 2004; published 28 June 2005) This work was supported by the National Science Foundation (Grant Nos. CHE-0415652 and CHE-0213589, as well as providing a graduate research fellowship to L.J.W.) and by International Sematech (Contract No. #306106 with FEPS008). This research was carried out in part at the National Synchrotron Light Source, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Division of Materials Sciences and Division of Chemical Sciences, under Contract No. DE-AC02-98CH10886. The authors thank Michael Sullivan for use of the N2(g)-purged glovebox at the NSLS. The authors are grateful to Martin M. Frank, Fabrice Amy, Rhett T. Brewer and Eric Garfunkel for fruitful discussions.
Funding AgencyGrant Number
NSF Graduate Research FellowshipUNSPECIFIED
Department of Energy (DOE)DE-AC02-98CH10886
Subject Keywords:silicon; hydrogen; elemental semiconductors; infrared spectra; X-ray photoelectron spectra; ab initio calculations; surface dynamics; surface roughness; surface treatment; surface structure
Issue or Number:4
Record Number:CaltechAUTHORS:RIVjvsta05
Persistent URL:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:9641
Deposited By: Archive Administrator
Deposited On:20 Feb 2008
Last Modified:08 Nov 2021 21:00

Repository Staff Only: item control page