Related papers: BoltzTraP2, a program for interpolating band struc…
We develop a semiclassical theory for the dynamics of electrons in a magnetic Bloch band, where the Berry phase plays an important role. This theory, together with the Boltzmann equation, provides a framework for studying transport problems…
In this paper, explicit method of constructing approximations (the Triangle Entropy Method) is developed for nonequilibrium problems. This method enables one to treat any complicated nonlinear functionals that fit best the physics of a…
The linearized collision operator of the Boltzmann equation can in a natural way be written as a sum of a positive multiplication operator, the collision frequency, and an integral operator. Compactness of the integral operator for…
We review and analyze the hybrid quantum-classical NMR computing methodology referred to as Type-II quantum computing. We show that all such algorithms considered so far within this paradigm are equivalent to some classical…
We develop a bootstrap approach to Euclidean two-point correlators, in the thermal or ground state of quantum mechanical systems. We formulate the problem of bounding the two-point correlator as a semidefinite programming problem, subject…
The transport of excess electrons in liquid argon driven out of equilibrium by an applied electric field is revisited using a multi-term solution of Boltzmann's equation together with ab initio liquid phase cross-sections calculated using…
The paper considers a class of linear Boltzmann transport equations which models a charged particle transport. The equation is an approximation of the original exact transport equation which involves hyper-singular integrals in their…
Optimal transport aims to estimate a transportation plan that minimizes a displacement cost. This is realized by optimizing the scalar product between the sought plan and the given cost, over the space of doubly stochastic matrices. When…
In the ongoing search for innovative thermoelectric (TE) materials with superior TE performance globally, we aim to investigate the possible use of half-Heusler alloy CoHfSi in TE applications. We analyzed the structure stability,…
We present two modules that expand functionalities of the all-electron full-potential density functional theory package WIEN2k for computation of the Chern and $Z_2$ topological invariants. Characterization of topological properties relies…
The linearized collision operator of the Boltzmann equation for single species can be written as a sum of a positive multiplication operator, the collision frequency, and a compact integral operator. This classical result has more recently,…
We consider point spectrum traces in the Hofstadter model. We show how to recover the full quantum Hofstadter trace by integrating these point spectrum traces with the appropriate free density of states on the lattice. This construction is…
Critical thermoelectric parameters including Seebeck coefficient, electrical conductivity, thermal conductivity and figure of merit ZT of one-dimensional coaxial Bi2Te3/Sb2Te3 nanocomposite were modeled by following the single carrier…
Theoretical foundations of electron transport in mesoscopic systems, based on Landauer theory, Master equations or Onsager linear thermodynamics, are revisited to show that the noniteracting electrons model is insufficient to describe…
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…
Modeling turbulent flows by a random Fourier decomposition is a classical procedure in order to use simplified models of turbulence in heat transport and other applications. We carefully investigate the Fourier time series of…
We investigate transport properties of one-dimensional fermionic tight binding models featuring nearest and next-nearest neighbor hopping, where the fermions are additionally subject to a weak short range mutual interaction. To this end we…
The Berry connection is a gauge-dependent quantity frequently used to describe the optical response of solids. Its evaluation requires a k-derivative with respect to the cell periodic-part of the Bloch-functions and is commonly calculated…
In pure SU(2) gauge theory we compute the two-loop coefficient in the relation between the lattice bare coupling and the running coupling defined through the Schroedinger functional. This result is required to relate the latter to the…
We present a method aimed at sampling charge density fluctuations in Coulomb systems. The derivation follows from a functional integral representation of the partition function in terms of charge density fluctuations. Starting from the…