Related papers: First-principles modelling of molecular single-ele…
We describe a measurement method that enables the correct estimation of the charging energy of an unintentional quantum dot (QD) in the channel of a metal-oxide-semiconductor field-effect transistor (MOSFET). If the channel has a dominant…
We evaluate the detector nonideality (and energy sensitivity) of a normal-state single-electron transistor (SET) in the cotunneling regime in a two-charge-state approximation. For small conductances and at zero temperature, the SET's…
Charged systems interacting via Coulomb forces can be efficiently simulated by introducing a local, diffusing degree of freedom for the electric field. This paper formulates the continuum electrodynamic equations corresponding to the…
We incorporate an Al-AlO_x-Al single-electron transistor as the gate of a narrow (~100 nm) metal-oxide-semiconductor field-effect transistor (MOSFET). Near the MOSFET channel conductance threshold, we observe oscillations in the conductance…
The density functional determining the Coulomb energy of nuclei is calculated to the first order in $e^2$. It is shown that the Coulomb energy includes three terms: the Hartree energy; the Fock energy; and the correlation Coulomb energy…
The quantum efficiency, which characterizes the quality of information gain against information loss, is an important figure of merit for any realistic quantum detectors in the gradual process of collapsing the state being measured. In this…
We present a new ab initio method for calculating effective onsite Coulomb interactions of itinerant and strongly correlated electron systems. The method is based on constrained local density functional theory formulated in terms of…
The electron-positive fermion gas in three dimensions and $T=0$ is modeled as two independent fermion gases interacting via the coulomb interaction. The main advantage of the simple model is that all existing results from the electron gas…
Using Metropolis method to compute path integrals, the energy of quantum strongly-coupled Coulomb liquid ($1 \leq \Gamma \leq 175$) composed of distinguishable atomic nuclei and uniform incompressible electron background is calculated from…
We develop the two-instanton approximation to the current-voltage characteristic of a single electron transistor within the Ambegaokar-Eckern-Sch\"on model. We determine the temperature and gate voltage dependence of the Coulomb blockade…
Polymer electrolytes (PEs) are promising candidates for use in next-generation high-voltage batteries, as they possess advantageous elastic and electrochemical properties. However, PEs still suffer from low ionic conductivity and need to be…
A numerical method is presented for first-principle simulations of charged colloidal dispersions in electrolyte solutions. Utilizing a smoothed profile for colloid-solvent boundaries, efficient mesoscopic simulations are enabled for…
A curious behavior of electron correlation energy is explored. Namely, the correlation energy is the energy that tends to drive the system toward that of the uniform electron gas. As such, the energy assumes its maximum value when a…
Electron charge density is a fundamental physical quantity, determining various properties of matter. In this study, we have proposed a deep-learning model for accurate charge density prediction. Our model naturally preserves physical…
This Letter uncovers five distinct charge transport modes and their transitions in dual-energy electron beam diodes. We via first-principle particle-in-cell (PIC) simulations establish that the specific mode (e.g., space charge…
We propose a theoretical/computational protocol based on the use of the Ground State (GS) Path Integral (PI) Quantum Monte Carlo (QMC) for the calculation of the kinetic and Coulomb energy density for a system of $N$ interacting electrons…
Recent measurements of electron escape from a non-equilibrium charged quantum dot are interpreted within a 2D separable model. The confining potential is derived from 3D self-consistent Poisson-Thomas-Fermi calculations. It is found that…
A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes. With the resulting model the first-principles-based phonon dispersion…
The spectral properties of up to four interacting electrons confined within a quasi one--dimensional system of finite length are determined by numerical diagonalization including the spin degree of freedom. The ground state energy is…
We have investigated a single charged microgel in aqueous solution with a combined simulational model and Poisson-Boltzmann theory. In the simulations we use a coarse-grained charged bead-spring model in a dielectric continuum, with…