Nonthermally Accessible Phase for CO on the Si(100) Surface

Deqing Hu, Wilson Ho, Xiaojie Chen, Song Wang, and William A. Goddard III
Phys. Rev. Lett. 78, 1178 – Published 10 February 1997
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Abstract

A new phase BTCO on Si(100), not accessible with thermal CO (which leads to the TCO phase), has been observed using an energetic molecular beam of CO and characterized by first principles quantum chemical methods. The BT phase is composed of bridge (B) and terminal (T) sites; it is driven and stabilized by cooperative electrostatic interactions that result because B (T) binding leads to the transfer of charge away from (toward) the surface. Desorption of CO from the B site proceeds through the T configuration.

  • Received 28 August 1996

DOI:https://doi.org/10.1103/PhysRevLett.78.1178

©1997 American Physical Society

Authors & Affiliations

Deqing Hu and Wilson Ho

  • Laboratory of Atomic and Solid State Physics and Materials Science Center, Cornell University, Ithaca, New York 14853

Xiaojie Chen, Song Wang, and William A. Goddard III

  • Materials and Process Simulation Center, Beckman Institute (139-74), California Institute of Technology, Pasadena, California 91125

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Vol. 78, Iss. 6 — 10 February 1997

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