Diffusion of a polaron in dangling bond wires on Si(001)

Details Diffusion of a polaron in dangling bond wires on Si(001) Diffusion of a polaron in dangling bond wires on Si(001)

2002-10-30

arxiv.org/abs/cond-mat/0210671v2

Physics

Condensed Matter

Materials Science

8 pages, 4 figures, accepted as a letter in J.Phys.:Condens. Matter

Scientific paper

Injecting charge into dangling bond wires on Si(001) has been shown to induce polarons, which are weakly coupled to the underlying bulk phonons. We present elevated temperature tight binding molecular dynamics simulations designed to obtain a diffusion barrier for the diffusive motion of these polarons. The results indicate that diffusion of the polarons would be observable at room temperature, and that the polarons remain localised even at high temperatures.

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