相关论文: Radiative capture rates at deep defects from elect…
Materials with optimized band gap are needed in many specialized applications. In this work, we demonstrate that Hellmann-Feynman forces associated with the gap states can be used to find atomic coordinates with a desired electronic density…
A mathematical model of the process of carbon capture in a packed column by adsorption is developed and analysed. First a detailed study is made of the governing equations. Due to the complexity of the internal geometry it is standard…
Understanding the sodium-storage mechanism in hard carbon (HC) anodes is crucial for advancing sodium-ion battery (SIB) technology. However, the intrinsic complexity of HC microstructures and their interactions with sodium remain not fully…
In this work we propose the application of an enhanced radiation damage model based on the introduction of deep level traps / recombination centers suitable for device level numerical simulation of silicon detectors at very high fluences…
Compact inductor-capacitor (LC) resonators, in contrast to coplanar waveguide (CPW) resonators, have a simple lumped-element circuit representation but usually call for sophisticated finite-element method (FEM) simulations for an accurate…
In this work, charge collection profiles of non-irradiated and irradiated 150 $\mu$m $p$-type pad diodes were measured using a 5.2 GeV electron beam traversing the diode parallel to the readout electrode. Four diodes were irradiated to 1…
We demonstrate how machine-learning based interatomic potentials can be used to model guest atoms in host structures. Specifically, we generate Gaussian approximation potential (GAP) models for the interaction of lithium atoms with…
We study Dicke superradiance as collective and coherent absorption and (time-delayed) emission of photons from an ensemble of ultracold atoms in an optical lattice. Since this process depends on the coherence properties of the atoms (e.g.,…
The hadron resonance gas (HRG) model is often believed to correctly describe the confined phase of QCD. This assumption is the basis of many phenomenological works on QCD thermodynamics and of the analysis of hadron yields in relativistic…
Radiative capture of nucleons at energies of astrophysical interest is one of the most important processes for nucleosynthesis. The nucleon capture can occur either by a compound nucleus reaction or by a direct process. The compound…
The dielectric response and structural properties of finite-temperature electron liquids are central to accurately describing the physical behavior of electronic systems. This study presents a robust analytical model for the static…
Hot carrier effect, a phenomenon where charge carriers generated by photon absorption remain energetic by not losing much energy, has been one of the leading strategies in increasing solar cell efficiency. Nanostructuring offers an…
The buffer carbon layer obtained in the first instance by evaporation of Si from the Si-rich surfaces of silicon carbide (SiC) is often studied only as the intermediate to the synthesis of SiC supported graphene. In this work, we explore…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
We present a description of the electronic structure of xenon within the density-functional theory formalism with the goal of accurately modeling dark-matter-induced ionisation in liquid xenon detectors. We compare the calculated electronic…
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…
A relation derived from the Kubo formula shows that optical conductivity measurements below the gap frequency in doped semiconductors can be used to probe directly the time-dependent quantum dynamics of charge carriers. This allows to…
Radiative cooling is an important ingredient in hydrodynamical models involving evolution of high temperature plasmas. Unfortunately, calculating an accurate cooling coefficient generally requires the solution of over a hundred differential…
We develop a conserving relaxation-time approximation (cRTA), which explicitly enforces conservation of particle number, energy, and momentum and employs an energy-resolved projection onto the full space of collision invariants. This makes…
Lattice codes with optimal decoding coefficient are capacity-achieving when dimension $N \rightarrow \infty$. In communications systems, finite dimensional lattice codes are considered, where the optimal decoding coefficients may still fail…