Related papers: TRACK: A python code for calculating the transport…
Recent progress in understanding thermal transport in complex crystals has highlighted the prominent role of heat conduction mediated by interband tunneling processes, which emerge between overlapping phonon bands (i.e. with energy…
The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A formal justification for using this combination to access…
We implement, optimize, and validate the linear-scaling Kubo-Greenwood quantum transport simulation on graphics processing units by examining resonant scattering in graphene. We consider two practical representations of the Kubo-Greenwood…
We present a real-space formulation for calculating the electronic structure and optical conductivity of such random alloys based on the Kubo-Greenwood formalism interfaced with the augmented space recursion (ASR) [A. Mookerjee, J. Phys. C:…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
We study electron transport in composite ferroelectrics --- materials consisting of metallic grains embedded in a ferroelectric matrix. Due to its complex tunable morphology the thermodynamic properties of these materials can be essentially…
We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…
The ability to control electromagnetic fields, heat currents, electric currents, and other physical phenomena by coordinate transformation methods has resulted in novel functionalities, such as cloaking, field rotations, and concentration…
The transport across a Kondo-correlated quantum dot coupled to two leads with independent temperatures and chemical potentials is studied using a controlled non-perturbative, and in this sense exact numeric treatment based on a hybrid…
We develop a general hydrodynamic framework for computing direct current thermal and electric transport in a strongly interacting finite temperature quantum system near a Lorentz-invariant quantum critical point. Our framework is…
We apply a new Kubo-Greenwood type formula combined with a generalized Feynman diagram- matic technique to report a first principles calculation of the thermal transport properties of disordered Fe_{1-x}Cr_{x} alloys. The diagrammatic…
A single molecule break junction device serves as a tunable model system for probing the many body Kondo state. The low-energy properties of this state are commonly described in terms of a Kondo model, where the response of the system to…
We have measured the resistivity and the Seebeck coefficient of a MgB2 sintered sample. The temperature dependence of resistivity is fitted well by a generalized Bloch-Gruneisen equation with a Debye temperature of 1050 K. The Seebeck…
We present first-principles calculations of the rate of energy exchanges between electrons and ions in nonequilibrium warm dense plasmas, liquid metals and hot solids, a fundamental property for which various models offer diverging…
We investigate the low-temperature electrical and thermal transport properties in atomically precise metallic heterostructures involving strongly-correlated electron systems. The model of the Mott-insulator/ band-insulator superlattice was…
We report on the direct observation of the thermoelectric transport in a nondegenerate correlated electron system formed on the surface of liquid helium. We find that the microwave-induced excitation of the vertical transitions of electrons…
The linear conductivity tensor for generic homogeneous, microscopic quantum models was formulated as a noncommutative Kubo formula in Refs. \cite{BELLISSARD:1994xj,Schulz-Baldes:1998vm,Schulz-Baldes:1998oq}. This formula was derived…
We use semiclassical Boltzmann transport theory to analytically study the electronic contribution to the linear thermoelectric response of anisotropic two-dimensional materials subjected to a perpendicular magnetic field. Conventional…
We study electron transport properties of composite ferroelectrics --- materials consisting of metallic grains embedded in a ferroelectric matrix. In particular, we calculate the conductivity in a wide range of temperatures and electric…
Recent electronic transport experiments using metallic contacts attached to proteins identified some 'stylized facts' which contradict conventional wisdom that increasing either the spatial distance between the electrodes or the temperature…