相关论文: Vibron transport in macromolecular chains
The formation of polaron and its migration in a DNA chain are studied within a semiclassical Peyrard-Biship-Holstein polaron model. Comparing the energetics of the polaron system found from the quantum chemical and semiclassical…
We study thermal transport through Pt nanowires that bridge planar contacts as a function of wire length and vibrational frequency of the contacts. When phonons in the contacts have lower average frequencies than those in the wires thermal…
Using uniaxial stress to tune the critical density near that of the sample, we have studied in detail the low-temperature conductivity of p-type Si:B in the insulating phase very near the metal-insulator transition. For all values of…
To explore the thermal and thermoelectric potential of 2D materials, we study the h-NbN monolayer, which lacks mirror symmetry and features a large acoustic-optical phonon gap and quadratic flexural mode. First-principles calculations and…
We present a detailed numerical study of the one-dimensional Holstein model with a view to understanding the self-trapping process of electrons or excitons in crystals with short-range particle-lattice interactions. Applying a very…
We have performed optical microscopy, micro-photoelectron spectroscopy, and micro-Raman scattering measurements on Y$_{0.63}$Ca$_{0.37}$TiO$_3$ single crystals in order to clarify the interplay between the microstructure and the temperature…
Transport through molecular devices with strong coupling to a single vibrational mode is considered in the case where the vibration is damped by coupling to the environment. We focus on the weak tunneling limit, for which a rate equation…
Spectral, optical and transport properties of an anisotropic three-dimensional Holstein model are studied within the adiabatic approximation. The parameter regime is appropriate for organic semiconductors used in single crystal based field…
We use quantum kinetic theory to calculate the thermoelectric transport properties of the 2D single band Fermi-Hubbard model in the weak coupling limit. For generic filling, we find that the high-temperature limiting behaviors of the…
Layered systems shows anisotropic transport properties. The interlayer conductivity show a general temperature dependence for a wide class of materials. This can be understood if conduction occurs in two different channels activated at…
We propose a novel approach to calculate dynamical processes at ultrafast time scale in molecules in which vibrational and electronic motions are strongly mixed. The relevant electronic orbitals and their interactions are described by a…
Self-assembled supramolecular aggregates are excellent candidates for the design of efficient excitation transport devices. Both artificially prepared and natural photosynthetic aggregates in plants and bacteria present an important degree…
The temperature dependence of the transport properties of the metallic phase of a frustrated Hubbard model on the hypercubic lattice at half-filling are calculated. Dynamical mean-field theory, which maps the Hubbard model onto a single…
Nanostructured materials exhibit low thermal conductivity because of the additional scattering due to phonon-boundary interactions. As these interactions are highly sensitive to the mean free path (MFP) of a given phonon mode, MFP…
We present exact results for the optical response in the one-dimensional Holstein model. In particular, by means of a refined kernel polynomial method, we calculate the ac and dc electrical conductivities at finite temperatures for a wide…
We report a numerical investigation on the heat transfer through one dimensional arrays of metallic nanoparticles closely spaced in a host material. Our simulations show that the multipolar interactions play a crucial role in the heat…
We present a study of the temperature (T) dependence of the dc electrical conductivity of polyaniline pellets doped over a wide range. A crossover between low-T variable-range hopping and high-T nearest-neighbor hopping has been found below…
Dc and ac transport properties as well as electric modulus spectra have been investigated for the samples LaMn$_{1-x}$Fe$_{x}$O$_3$ with compositions 0 $\leq x \leq$ 1.0. The bulk dc resistivity shows a temperature variation consistent with…
We present a trajectory-resolved framework for charge transport in graphene and related two-dimensional carbon systems beyond the ideal ballistic and fully coherent limits. Transport is described by kinetic Monte Carlo hopping on a…
We present a unified view of the transport properties of small-polarons in the Holstein model at low carrier densities, based on the Dynamical Mean Field Theory. The nonperturbative nature of the approach allows us to study the crossover…