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Published April 9, 2013 | Supplemental Material + Published
Journal Article Open

Hybridization of Surface Waves with Organic Adlayer Librations: A Helium Atom Scattering and Density Functional Perturbation Theory Study of Methyl-Si(111)

Abstract

The interplay of the librations of a covalently bound organic adlayer with the lattice waves of an underlying semiconductor surface was characterized using helium atom scattering in conjunction with analysis by density functional perturbation teory. The Rayleigh wave dispersion relation of CH_(3)- and CD_(3)-terminated Si(111) surfaces was probed across the entire surface Brillouin zone by the use of inelastic helium atom time-of-flight experiments. The experimentally determined Rayleigh wave dispersion relations were in agreement with those predicted by density functional perturbation theory. The Rayleigh wave for the CH_(3)- and CD_(3)-terminated Si(111) surfaces exhibited a nonsinusoidal line shape, which can be attributed to the hybridization of overlayer librations with the vibrations of the underlying substrate. This combined synthetic, experimental, and theoretical effort clearly demonstrates the impact of hybridization between librations of the overlayer and the substrate lattice waves in determining the overall vibrational band structure of this complex interface.

Additional Information

© 2013 American Physical Society. Received 1 February 2013; published 9 April 2013. S. J. S. would like to acknowledge the support of the Air Force Office of Scientific Research Grant No. FA9550-10-1-0219, and the Material Research Science and Engineering Center at the University of Chicago for infrastructure support. N. S. L. acknowledges support from NSF-CHE1214152, and L. E. O. was funded by a Link foundation Energy fellowship.

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Published - PhysRevLett.110.156102.pdf

Supplemental Material - README.TXT

Supplemental Material - lemental_Materials_032913_for_Upload_Submitted.pdf

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