ADSORPTION AND DIFFUSION OF Si ON THE Si(001): AN EMPIRICAL POTENTIAL CALCULATION-Reference-Cited by-同舟云学术

ADSORPTION AND DIFFUSION OF Si ON THE Si(001): AN EMPIRICAL POTENTIAL CALCULATION

Published:2002-02-10 Issue:04 Volume:16 Page:621-629
ISSN:0217-9792
Container-title:International Journal of Modern Physics B
language:en
Short-container-title:Int. J. Mod. Phys. B

Author:

CAI JUN¹²,WANG JIAN-SHENG¹

Affiliation:

1. Singapore-MIT Alliance and Department of Computational Science, the National University of Singapore, Singapore 119260, Singapore

2. Department of Physics, Beijing Normal University, Beijing 100875, China

Abstract

A recently developed potential function for covalent materials (Phys. Stat. Sol.B212, 9 (1999)) is used to simulate the surface adsorption, and diffusion of Si adtom and ad-dimer on the Si(001) surface. We calculate the formation energies and diffusion activation energies of several possible binding sites. The predicted stable and metastable configurations and diffusion paths of Si ad-atom and Si ad-dimer on Si(001)-(2×1) surface are in agreement with that from the first principle calculations or experiments.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0217979202010051

Reference17 articles.

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4. Adatom migrations and nucleations on reconstructed (001) surfaces I. Si

5. Ab InitioStudies of the Diffusion Barriers at Single-Height Si(100) Steps

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