相关论文: Analysis of simple scattering models on the thermo…
Materials with ring-shaped electronic bands are promising thermoelectric candidates, since their unusual dispersion shape is predicted to give large power factors. While previous calculations of these materials have relied on the assumption…
Materials with reduced dimensionality offer beneficial density-of-states (DOS) profiles for thermoelectric energy conversion, but can be impractical in realistic devices. Encouragingly, bulk high-symmetry materials can also exhibit similar…
Understanding how to optimize electronic band structures for thermoelectrics is a topic of long-standing interest in the community. Prior models have been limited to simplified bands and/or scattering models. In this study, we apply more…
We assess the impact of the scattering physics assumptions on the thermoelectric properties of five Co-based p-type half-Heusler alloys by considering full energy-dependent scattering times, versus the commonly employed constant scattering…
A two-band model with repulsive interband coupling and interband {\it transport} (potential) scattering is considered to elucidate their effects on material properties. In agreement with previous work, we find that the bands order…
Multi-pulse nonlinear THz spectroscopies enable a new understanding of interacting metallic systems via their sensitivity to novel correlation functions. Here, we investigated the THz nonlinear properties of the dilute metallic phase of…
Half-Heuslers, an emerging thermoelectric material group, has complex bandstructures with multiple bands that can be aligned through band engineering approaches, giving us an opportunity to improve their power factor. In this work, going…
We study the dependence of the electronic density of states (DOS) on the distance from the boundary for a ferromagnet/superconductor bilayer. We calculate the electron density of states in such structure taking into account the two-band…
Inelastic electron scattering by the adsorbate covered Pt(100) single crystal surface is studied by Disappearance Potential Spectroscopy and density of states (DOS) calculations. Two peculiar channels of elastic electron consumption are…
We consider elastic reflection and transmission of electrons by a disordered system characterized by a $2N\!\times\!2N$ scattering matrix $S$. Expressing $S$ in terms of the $N$ radial parameters and of the four $N\!\times\!N$ unitary…
Complex electronic band structures, with multiple valleys or bands at the same or similar energies can be beneficial for thermoelectric performance, but the advantages can be offset by inter-valley and inter-band scattering. In this paper,…
The simulation of transmission electron microscopy (TEM) images or diffraction patterns is often required to interpret their contrast and extract specimen features. This is especially true for high-resolution phase-contrast imaging of…
Relaxor ferroelectrics are difficult to study and understand. The experiment shows that at low energy scattering there is an acoustic mode, an optic mode, dynamic quasi-elastic scattering and strictly elastic scattering as well as Bragg…
An analytic description of laser-assisted electron-atom scattering (LAES) in an elliptically polarized field is presented using time-dependent effective range (TDER) theory to treat both electron-laser and electron-atom interactions…
Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional theory (DFT) calculations have typically been used to obtain…
Low-energy electrons scattered in the conduction band of a dielectric solid should behave like Bloch electrons and will interact with perturbations of the atomic lattice, i.e. with phonons. Thus the phonon-based description of low-energy…
Many computational models have been developed to predict the rates of atomic displacements in two-dimensional (2D) materials under electron beam irradiation. However, these models often drastically underestimate the displacement rates in 2D…
In the last few years several ``universal'' interatomic potentials have appeared, using machine-learning approaches to predict energy and forces of atomic configurations with arbitrary composition and structure, with an accuracy often…
In a recent article, Schild et al. present what they call an alternative approach to the determination of mean free paths of electron scattering in liquid water. This by no means new approach is based on a very simplistic two channel model…
In ultrafast electron diffraction (UED) experiments, accurate retrieval of time-resolved structural parameters, such as atomic coordinates and thermal displacement parameters, requires an accurate scattering model. Unfortunately,…