Related papers: Modeling Practical Capacitive Structures for Elect…
The conductance of a disordered finite-size electron system is calculated by reducing the initial dynamic problem of arbitrary dimensionality to strictly one-dimensional problems for one-particle mode propagators. The metallic ground state…
The quantitative description of correlated electron materials remains a modern computational challenge. We demonstrate a numerical strategy to simulate correlated materials at the fully ab initio level beyond the solution of effective…
To be practical, semiconductors need to be doped. Sometimes, to nearly degenerate levels, e.g. in applications such as thermoelectric, transparent electronics or power electronics. However, many materials with finite band gaps are not…
In this work we propose simple, effective and computationally efficient transfer learning approaches for structure-property relation predictions in the context of materials, with highly informative input from different modalities. As…
Extracting Hamiltonian parameters from available experimental data is a challenge in quantum materials. In particular, real-space spectroscopy methods such as scanning tunneling spectroscopy allow probing electronic states with atomic…
Mechanical testing with sub-sized specimens plays an important role in the nuclear industry, facilitating tests in confined experimental spaces with lower irradiation levels and accelerating the qualification of new materials. The reduced…
Recent developments in piezoelectric films have heightened the need for the reliable methods to correctly characterize their piezoelectric coefficients. Here, we demonstrate that capacitive displacement method can be used to determine…
We present an approach to learn about electricity and dc electric circuits by using real representational models based on the gravitational analogy. The additively manufactured models are deployed in a small-scale teaching intervention on…
This essay is a recapitulation of an earlier Kramers-Kronig analysis of biological tissue, published in 2010, "Kramers-Kronig analysis of biological skin". The intent is to both complement and bolster the antecedent analysis by furnishing…
The last two decades, in particular, have witnessed a large volume of research revolving around structure-property correlation in Carbon based nanocomposites, synthesized by several methods.In the simplest of terms, the electronic…
We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which enables an accurate expansion of the all-electron density in…
We investigate how external screening shapes excitons in two-dimensional (2d) semiconductors embedded in laterally structured dielectric environments. An atomic scale view of these elementary excitations is developed using models which…
We study the electronic properties (density of states, conductivity and thermopower) of some nearly--free--electron systems: the liquid alkali metals and two liquid alloys, Li-Na and Na-K. The study has been performed within the…
The calculation of electronic properties of materials is an important task of solid state theory, albeit particularly difficult if electronic correlations are strong, for example in transition metals, their oxides and in f-electron systems.…
We review a recent proposal of a first principles approach to the electronic structure of materials with strong electronic correlations. The scheme combines the GW method with dynamical mean field theory, which enables one to treat strong…
In this study, we report the progress made towards the definition of a modular compact modeling technology for graphene field-effect transistors (GFET) that enables the electrical analysis of arbitrary GFET-based integrated circuits. A set…
Electric-field noise due to surfaces disturbs the motion of nearby trapped ions, compromising the fidelity of gate operations that are the basis for quantum computing algorithms. We present a method that predicts the effect of dielectric…
Ab initio electronic structure calculations of two-dimensional layered structures are typically performed using codes that were developed for three-dimensional structures, which are periodic in all three directions. The introduction of a…
Key circumstance of radical progress for technology of XXI century is the development of a technique which provides controllable producing three-dimensional patterns incorporating regions of nanometer sizes and required physical and…
The many-body ground state of a two-dimensional electron system can be tuned by Coulomb engineering through control of the dielectric environment. However, in conventional dielectrics the static permittivity is restricted to positive…