Related papers: BoltzTraP. A code for calculating band-structure d…
Starting from a general $N$-band Hamiltonian with weak spatial and temporal variations, we derive a low energy effective theory for transport within one or several overlapping bands. To this end, we use the Wigner representation that allows…
We show that several diffusion-based approximations (classical diffusion or SP1, SP2, SP3) to the linear Boltzmann equation can (for an infinite, homogeneous medium) be represented exactly by a non-classical transport equation. As a…
Band theory provides the foundation for understanding electronic structure in crystalline materials, but its reliance on exact translational symmetry limits its applicability to systems with defects, disorder, incommensurate modulations, or…
The tunneling conductance spectra of a normal-metal/insulator/quasi-one-dimensional superconductor is calculated by using the Blonder-Tinkham-Klapwijk formulation. The pairing symmetry of the superconductor is assumed to be $p$, $d$, and…
Transport properties of a two-band system with spectral nodes are studied in the presence of random scattering. Starting from a Grassmann functional integral, we derive a bosonic representation that is based on random phase fluctuations.…
We describe fast algorithms for approximating the connection coefficients between a family of orthogonal polynomials and another family with a polynomially or rationally modified measure. The connection coefficients are computed via…
Koopmans-compliant functionals provide an orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized piecewise-linearity condition on the total energy of the system…
Transport-based techniques for signal and data analysis have received increased attention recently. Given their abilities to provide accurate generative models for signal intensities and other data distributions, they have been used in a…
The recently developed bag-of-paths (BoP) framework consists in setting a Gibbs-Boltzmann distribution on all feasible paths of a graph. This probability distribution favors short paths over long ones, with a free parameter (the temperature…
The computation of the two-point correlation form factor K(t) is performed for a rectangular billiard with a small size impurity inside for both periodic or Dirichlet boundary conditions. It is demonstrated that all terms of perturbation…
We have developed a complete semiclassical Wentzel-Kramers-Brillouin (WKB) theory for $\alpha-\mathcal{T}_3$ model which describes a wide class of existing pseudospin-1 Dirac cone materials. By expanding the sought wave functions in a…
The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb, InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction applying a recently developed approximate calculation scheme,…
We observe a large number of functions differing from each other only by a translation parameter. While the main pattern is unknown, we propose to estimate the shift parameters using $M$-estimators. Fourier transform enables to transform…
Understanding the transport behavior of an electronic system under the influence of a magnetic field remains a key subject in condensed matter physics. Particularly in topological materials, their nonvanishing Berry curvature can lead to…
Monte Carlo simulations and an analytical approach within the framework of a semiclassical model are presented which permit the determination of Coulomb blockade and single electron charging effects for multiple tunnel junctions coupled in…
We propose a modified Boltzmann nonlinear electric-transport framework which differs from the nonlinear generalization of the linear Boltzmann formalism by a contribution that has no counterpart in linear response. This contribution follows…
We investigate random connected graphs from a block-stable class whose distribution is weighted based on the number of $2$-connected components, or blocks. This includes the class of planar graphs. For this, we develop a notion of a…
We calculate the tunneling conductance spectra of a normal metal / insulator / triplet superconductor from the reflection amplitudes using the Blonder-Tinkham-Klapwijk (BTK) formula. For the triplet superconductor we assume one special…
The Boltzmann equation for inelastic and rough hard spheres is considered as a model of a dilute granular gas. In this model, the collisions are characterized by constant coefficients of normal and tangential restitution and hence the…
Periodic orbit quantization requires an analytic continuation of non-convergent semiclassical trace formulae. We propose a method for semiclassical quantization based upon the Pade approximant to the periodic orbit sums. The Pade…