Small polaron formation in dangling-bond wires on the Si(001) surface

Details Small polaron formation in dangling-bond wires on the Si(001) surface Small polaron formation in dangling-bond wires on the Si(001) surface

2000-05-24

arxiv.org/abs/cond-mat/0005415v2

Physics

Condensed Matter

Materials Science

LaTeX with APS RevTeX macros; 14 pages including 4 figures in EPS format

Scientific paper

10.1103/PhysRevB.63.035310

From electronic structure calculations, we find that carriers injected into dangling-bond atomic wires on the Si(001) surface will self-trap to form localised polaron states. The self-trapping distortion takes the form of a local suppression of the buckling of the dimers in the wire, and is qualitatively different for the electron and hole polarons. This result points to the importance of polaronic effects in understanding electronic motion in such nanostructures.

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