Related papers: A Universal Description of Workfunction
We study the effect of electron spill-out and of nonlocality on the propagation of light inside a gap between two semi-infinite metallic regions. We compare the predictions of a local response model taking into account only the spill-out,…
Surface electric (charge) noise influences spin defects due to fluctuation of the surface charge density and also the electrostatic potential at the crystal surface. Surprisingly, the two-point correlation function of both the charged…
The work functions of 7Li and 6Li metals have been measured as a function of temperature, by using photoionization of pure isolated metal nanoparticles in a beam. These data reveal a marked isotope effect in the temperature variation of…
We investigate some surfaces of a paradigmatic sp bonded metal--namely, Al(110), Al(100), and Al(111)--by means of the "electron localization function" (ELF), implemented in a first-principle pseudopotential framework. ELF is a ground-state…
We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…
The electric or magnetic field of an ideal dipole is known to have a Dirac delta function at the origin. The usual textbook derivation of this delta function is rather ad hoc and cannot be used to calculate the delta-function structure for…
The alignment of the Fermi level of a metal electrode within the gap of the highest occupied and lowest unoccupied orbital of a molecule is a key quantity in molecular electronics. Depending on the type of molecule and the interface…
We study, using Density Functional theory and Monte Carlo simulations, aqueous electrolyte solutions between charged infinite planar surfaces, in a contact with a bulk salt reservoir. In agreement with recent experimental observations [Z.…
We show experimental and theoretical evidence that BiTeI hosts a novel disordered metallic state named diffusive helical Fermi liquid (DHFL), characterized by a pair of concentric spin-chiral Fermi surfaces with negligible inter-valley…
We study the interactions between two negatively charged macroscopic surfaces confining positive counterions. A density-functional approach is introduced which, besides the usual mean-field interactions, takes into account the correlations…
Density functional theory is used to study binary colloidal fluids consisting of hard spheres and thin platelets in their bulk and near a planar hard wall. This system exhibits liquid-liquid coexistence of a phase that is rich in spheres…
The classical (i.e. non-quantum) equilibrium statistical mechanics of a Coulomb fluid living on a pseudosphere (an infinite surface of constant negative curvature) is considered. The Coulomb fluid occupies a large disk communicating with a…
We investigate surface plasmons at a planar interface between a normal dielectric and a topological insulator, where the Fermi-energy lies inside the bulk gap of the topological insulator and gives rise to a two-dimensional charge…
We investigate active electrolytes within the mean-field level of description. The focus is on how the double-layer structure of passive, thermalized charges is affected by active dynamics of all constituting ions. One feature of active…
Structural disorder causes materials surface electronic properties, e.g. work function ($\phi$) to vary spatially, yet it is challenging to prove exact causal relationships to underlying ensemble disorder, e.g. roughness or granularity. For…
The possibility of modifying the work function of electrodes is important for optimizing the energy barriers for charge-injection (extraction) at the interface to an organic material. In this study, we perform density-functional-theory…
In this paper, the initial value problem for the Debye--Hueckel drift-diffusion equation is studied. This equation was introduced as a model describing plasma behavior and is also known as a simulation model of MOSFET, and so its solution…
The magnitude of the work function to bring an electron from a metal into the exclusion zone water layer making hydrophilic contact with the metallic interface is theoretically computed. The agreement with recent experimental measurements…
Properties of metals are fundamentally determined by their electron behavior, which is largely reflected by the electron work function ($\varphi $). Recent studies have demonstrated that many properties of metallic materials are directly…
The evolution from an anomalous metallic phase to a Mott insulator within the two-dimensional Hubbard model is investigated by means of the Cellular Dynamical Mean-Field Theory. We show that the density-driven Mott metal-insulator…