First-principles study of the adsorption of <math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">C</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">H</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math> and <math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">C</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">H</mi></mrow><mrow><mn>4</mn></mrow></msub></mrow></math> on Si(100)

Jun-Hyung Cho; Leonard Kleinman; C. T. Chan; Kwang S. Kim

doi:10.1103/PhysRevB.63.073306

First-principles study of the adsorption of $C_{2}$ $H_{2}$ and $C_{2}$ $H_{4}$ on Si(100)

Jun-Hyung Cho, Leonard Kleinman, C. T. Chan, and Kwang S. Kim

Phys. Rev. B 63, 073306 – Published 26 January 2001; Erratum Phys. Rev. B 64, 199902 (2001)

Abstract

The adsorption of acetylene and ethylene on the Si(100) surface is studied by first-principles density-functional calculations within the generalized gradient approximation. Both molecules are found to adsorb identically on the top of Si dimers, forming two σ bonds between C and Si atoms. This result does not support a recent photoelectron imaging observation where the adsorption sites of the two molecules differ from each other. Controversial issues, such as the intactness of the Si dimer bond and the saturation coverages of both adsorbed molecules, are discussed.

Received 4 October 2000

DOI:https://doi.org/10.1103/PhysRevB.63.073306

Erratum

Erratum: First-principles study of the adsorption of $C_{2} H_{2}$ and $C_{2} H_{4}$ on Si(001) [Phys. Rev. B 63, 073306 (2001)]

Jun-Hyung Cho, Leonard Kleinman, C. T. Chan, and Kwang S. Kim

Phys. Rev. B 64, 199902 (2001)

Authors & Affiliations

Jun-Hyung Cho and Leonard Kleinman

Department of Physics, University of Texas, Austin, Texas 78712-1081

C. T. Chan

Physics Department, Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong

Kwang S. Kim

Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, Pohang 790-784, Korea

References (Subscription Required)

Click to Expand

Issue

Vol. 63, Iss. 7 — 15 February 2001

Reuse & Permissions

Access Options

Author publication services for translation and copyediting assistance advertisement

Physical Review B

covering condensed matter and materials physics