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Reliable evaluation of the lattice thermal conductivity is of importance for optimizing the figure-of-merit of thermoelectric materials. Traditionally, when deriving the phonon mediated thermal conductivity $\kappa_{ph} = \kappa -…
We show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model…
Thermodynamics and transport properties of a dissipative particle in a tight-binding model are studied through specific heat and optical conductivity. A weak coupling theory is constituted to study the crossover behavior between the…
Multi-heme cytochromes (MHC) are fascinating proteins used by bacterial organisms to shuttle electrons within and between their cells. When placed in a solid state electronic junction, they support temperature-independent currents over…
Low temperature carrier transport properties in two-dimensional (2D) semiconductor systems can be theoretically well-understood within a mean-field type RPA-Boltzmann theory as being limited by scattering from screened Coulomb disorder…
We have measured the Hall coefficient $R_H$ and the electrical conductivity $\sigma$ of a series of ultrathin indium tin oxide films between 2 and 300 K. A robust $R_H$\,$\propto$\,ln$T$ law is observed in a considerably wide temperature…
Thermal conductance of single molecular junctions at room temperature has been measured recently using picowatt-resolution scanning probes. However, fully understanding thermal transport in a much wider temperature range is needed for the…
We explore theoretically the principles that govern photon emission from single-molecule conductors carrying electric currents between metallic contacts. The molecule and contacts are represented by a generic tight-binding model. The…
Boltzmann transport theory, the standard framework for predicting thermal conductivity, assumes that every vibrational mode eventually scatters, acquiring a finite lifetime that yields a convergent, length-independent thermal conductivity:…
Folding kinetics of a lattice model of protein is studied. It uses the Random Energy Model for the intrachain couplings and a temperature dependent free energy of solvation derived from a realistic hydration model of apolar solutes. The…
We present a new model of electron transport in warm and hot dense plasmas which combines the quantum Landau-Fokker-Planck equation with the concept of mean-force scattering. We obtain electrical and thermal conductivities across several…
Based on the phonon Boltzmann transport equation under the relaxation time approximation, analytical expressions for the temperature profiles of both steady state and modulated heat conduction inside a thin film deposited on a substrate are…
We explore the electrical transport and magneto-conductance in quasi two-dimensional strongly correlated ultrathin films of LaNiO$_{3}$ (LNO) to investigate the effect of hetero-epitaxial strain on electron-electron and electron-lattice…
The mobility and disorder in the lattice of Cu atoms as liquid-like behavior is an important characteristic affecting the thermoelectric properties of Cu$_{2}$S. In this study, using a theoretical model called acanthite-like structure for…
We study the thermodynamic behavior of a simple off-lattice model for protein folding. The model is two-dimensional and has two different ``amino acids''. Using numerical simulations of all chains containing eight or ten monomers, we…
The transport properties at finite temperature of crystalline organic semiconductors are investigated, within the Su-Schrieffer-Heeger model, by combining exact diagonalization technique, Monte Carlo approaches, and maximum entropy method.…
Folding of protein-like heteropolymers into unique 3D structures is investigated using Monte Carlo simulations on a cubic lattice. We found that folding time of chains of length $N$ scales as $N^\lambda$ at temperature of fastest folding.…
Experimental studies on single-molecule junctions are typically in need of a simple theoretical approach that can reproduce or be fitted to experimentally measured transport data. In this context, the single-level variant of the Landauer…
Electrical conductance is quantized in units of $\sigma_{\rm Q}=2e^2/h$ in ballistic one-dimensional conductors. Similarly, thermal conductance at temperature $T$ is expected to be limited by the quantum of thermal conductance of one mode,…
We have investigated the electrical conduction processes in as-grown and thermally cycled ZnO single crystal as well as as-grown ZnO polycrystalline films over the wide temperature range 20--500 K. In the case of ZnO single crystal between…