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Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform…
We propose a non-perturbative $ab$ $initio$ approach to calculate the electrical conductivity of a liquid metal. Our approach is based on the Kubo formula and the theory of electron-phonon coupling (EPC), and unlike the conventional…
We calculate the phonon-dispersion relations of several two-dimensional materials and diamond using the density-functional based tight-binding approach (DFTB). Our goal is to verify if this numerically efficient method provides sufficiently…
Conductivities and Hall coefficients of two dimensional hard core bosons are calculated using the thermodynamic expansions of Kubo formulas. At temperatures above the superfluid transition, the resistivity rises linearly and is weakly…
Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…
We calculate numerically the normal modes of vibrations in 3D jammed packings of soft spheres as a function of the packing fraction and obtain the energy diffusivity, a spectral measure of transport that controls sound propagation and…
In a typical semiconductor material, the majority of heat is carried by long wavelength, long mean-free-path phonons. Nanostructuring strategies to reduce thermal conductivity, a promising direction in the field of thermoelectrics, place…
Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer structures we developed a beam matching technique, which is…
Carbon atomic chain, linear benzene polymers, and carbon nanothreads are all one-dimensional (1D) ultrathin carbon structures. They possess excellent electronic and mechanical properties; however, their thermal transport properties have…
We develop a new real-space method which allows to evaluate the Kubo-Greenwood conductivity of independent electrons in static aperiodic potentials. We apply it to a numerical study of propagation modes in 3 dimensional quasiperiodic…
Atomic clusters attached to a low-dimensional system, called Fano defects, produce rich wave interferences. In this work, we analytically found an enhanced thermoelectric figure-of-merit (ZT) in periodic atomic chains with Fano defects,…
Quantum transport properties of disordered graphene with structural defects (Stone-Wales and divacancies) are investigated using a realistic {\pi}-{\pi}* tight-binding model elaborated from ab initio calculations. Mean free paths and…
In this work, we study the thermal energy transport properties of twin graphene, which has been introduced recently as a new two-dimensional carbon nano structure. The thermal conductivity is investigated using non-equilibrium molecular…
We report on the diffusive-ballistic thermal conductance of multi-moded single-crystal silicon beams measured below 1 K. It is shown that the phonon mean-free-path $\ell$ is a strong function of the surface roughness characteristics of the…
Kubo formula is used to get the d.c conductance of a statistical ensemble of two-dimensional clusters of the square lattice in the presence of standard diagonal disorder, a uniform magnetic field and random magnetic fluxes. Working within a…
We study the quantum thermal transport of elastic excitations through a two-dimensional elastic waveguide between two thermal reservoirs. We solve the classical Kirchhoff-Love equation for rectangular wires and explore the dispersion…
Tailoring thermal properties with nanostructured materials can be of vital importance for many applications. Generally classical phonon size effects are employed to reduce the thermal conductivity, where strong phonon scattering by…
The transport coefficients of quark matter at non-zero chemical potential and temperature are computed within the two-flavor Nambu--Jona-Lasinio model. We apply the Kubo formalism to obtain the thermal ($\kappa$) and electrical ($\sigma$)…
The average of densities of currents and charges, induced by a weak electromagnetic field in spatially inhomogeneous are calculated at final temperatures. The Kubo formula for a conductivity tensor is generalized for spatially inhomogeneous…
We have developed a new theoretical formalism for phonon transport in nanostructures using the nonequilibrium phonon Green's function technique and have applied it to thermal conduction in defective carbon nanotubes. The universal…