相关论文: Diffusion of a polaron in dangling bond wires on S…

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…

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…

A theoretical investigation of the microscopic mechanisms provided the transient enhanced diffusion of boron atoms during rapid thermal annealing of silicon substrates doped by high fluence ion implantation was carried out. To compare the…

We evaluate the electronic, geometric and energetic properties of quasi 1-D wires formed by dangling bonds on Si(100)-H (2 x 1). The calculations are performed with density functional theory (DFT). Infinite wires are found to be insulating…

The room temperature thermal diffusivity of high T$_c$ materials is dominated by phonons. This allows the scattering of phonons by electrons to be discerned. We argue that the measured strength of this scattering suggests a converse…

Modeling of ion-implanted boron redistribution in silicon crystals during low-temperature annealing with a small thermal budget has been carried out. It was shown that formation of "tails"' in the low-concentration region of impurity…

Materials containing high densities of exceptionally displaceable ions (e.g. perovskites) have extremely large ratios of their static to high-frequency dielectric constants, > 2. Large polarons form in such materials as their electronic…

Using the Feynman path-integral formalism we study the polaron effects in quantum wires above a liquid helium film. The electron interacts with two-dimensional (2D) surface phonons, i.e. ripplons, and is confined in one dimension (1D) by an…

Recent experimental evidence shows that the pi-orbitals along the stacking of base pairs can facilitate the long-range charge transfer in DNA. Proton motion in the base pair hydrogen bonds has also been found to affect the transfer rate. To…

The long time diffusive behaviour of intrinsic localised modes (discrete breathers) in the discrete damped-driven sine-Gordon chain under Gaussian white noise (to simulate temperature) is studied. We present a theoretical model for an…

Polarons are composite quasiparticles comprising electronic charge carriers taken together with the alterations they induce in surrounding condensed matter. Strong-coupling polarons form when electronic charge carriers become self-trapped:…

We evaluate the electron transmission through a dangling-bond wire on Si(100)-H (2x1). Finite wires are modelled by decoupling semi-infinite Si electrodes from the dangling-bond wire with passivating H atoms. The calculations are performed…

A two stream model of boron diffusion in silicon has been developed. The model is intended for simulation of transient enhanced diffusion including redistribution of ion-implanted boron during low temperature annealing. The following…

Spatiotemporal dynamics of electron-hole pairs locally excited in a silicon-on-insulator structure by indirect interband absorption are studied by measuring differential transmission caused by free-carrier absorption of a probe pulse tuned…

A simple bulk model of electron-phonon coupling in metals has been surprisingly successful in explaining experiments on metal films that actually involve surface- or other low-dimensional phonons. However, by an exact application of this…

The 2D lattice gas model with competing short and long range interactions is appliedused for calculation of the incoherent charge transport in the classical strongly-correlated charge segregated polaronic state. We show, by means of…

Numerical results for the polaron dispersion are presented for an arbitrary number of space dimensions. Upper and lower bounds are calculated for the dispersion curves. They are rather close to each other in the cases of small…

Short dangling bond wires (DB wires), fabricated on H-terminated Si(001) surfaces, show patterns of displacement that depend on their length. We have performed density function calculations, with and without spin-polarisation, designed to…

Modeling of the long-range migration of boron interstitials during low temperature annealing of ion-implanted silicon crystals has been carried out.

We present results of molecular dynamics simulations of the electron system on the surface of liquid helium. The simulations are done for 1600 electrons with periodic boundary conditions. Electron scattering by capillary waves and phonons…