Soliton effects in dangling-bond wires on Si(001)

Abstract

Dangling bond wires on Si(001) are prototypical one dimensional wires, which are expected to show polaronic and solitonic effects. We present electronic structure calculations, using the tight binding model, of solitons in dangling-bond wires, and demonstrate that these defects are stable in even-length wires, although approximately 0.1 eV higher in energy than a perfect wire. We also note that in contrast to conjugated polymer systems, there are two types of soliton and that the type of soliton has strong effects on the energetics of the bandgap edges, with formation of intra-gap states between 0.1 eV and 0.2 eV from the band edges. These intra-gap states are localised on the atoms comprising the soliton.

arXiv comment6 pages, 3 figures, 3 tables, submitted to Phys. Rev. B

References in corpus (5)

• The role of electronic correlation in the Si(100) reconstruction: a quantum Monte Carlo study
• Quantum inelastic conductance through molecular wires
• A spin-polarised first principles study of short dangling bond wires on Si(001)
• Small polaron formation in dangling-bond wires on the Si(001) surface
• Mechanisms for electron transport in atomic-scale one-dimensional wires: soliton and polaron effects

Cited by in corpus (5)

• Self-assembled nanowires on semiconductor surfaces
• Energetics and stability of dangling-bond silicon wires on H passivated Si(100)
• Search for a Metallic Dangling-Bond Wire on $n$-doped H-passivated Semiconductor Surfaces
• Ionic Charge Distributions in Silicon Atomic Wires
• Spin transport in dangling-bond wires on doped H-passivated Si(100)