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Electromechanical response of solids underpins image formation mechanism of several scanning probe microscopy techniques including the piezoresponse force microscopy (PFM) and electrochemical strain microscopy (ESM). While the theory of…

Matter at extreme temperatures and pressures -- commonly known as warm dense matter (WDM) in the literature -- is ubiquitous throughout our Universe and occurs in a number of astrophysical objects such as giant planet interiors and brown…

Solid-state batteries (SSBs) have recently been proposed as promising alternatives to conventional Li-ion batteries because of their high level of safety and power density. The engineering of SSBs requires comprehensive modeling of their…

Chemical Physics · Physics 2020-06-19 Ting Hei Wan , Francesco Ciucci

Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…

Chemical Physics · Physics 2021-12-14 Giovanni Pireddu , Laura Scalfi , Benjamin Rotenberg

We develop a simple and reliable analytical model that allows describing the electromagnetic response of all-dielectric metasurfaces consisting of a single-layer array of high-permittivity spherical particles. By combining Mie theory with a…

Classical Physics · Physics 2020-12-21 Alessio Monti , Andrea Alù , Alessandro Toscano , Filiberto Bilotti

The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…

Strongly Correlated Electrons · Physics 2025-04-07 Anna O. Schouten , Simon Ewing , David A. Mazziotti

Combining classical electrodynamics and density functional theory (DFT) calculations, we develop a general and rigorous theoretical framework that describes the energetics of metal surfaces under high electric fields. We show that the…

Materials Science · Physics 2019-05-22 Andreas Kyritsakis , Ekaterina Baibuz , Ville Jansson , Flyura Djurabekova

The hypernetted chain/mean spherical approximation (HNC/MSA) integral equation is obtained and solved numerically for a totally asymmetric primitive model electrolyte around a spherical macroparticle. The ensuing radial distribution…

This work explores the use of joint density-functional theory, a new form of density-functional theory for the ab initio description of electronic systems in thermodynamic equilibrium with a liquid environment, to describe electrochemical…

Materials Science · Physics 2015-06-05 Kendra Letchworth-Weaver , T. A. Arias

Dynamic Electrochemical Strain Microscopy (ESM) response of mixed ionic-electronic conductors is analysed in the framework of the Thomas-Fermi screening theory and Vegard law with accounting of the steric effects. The emergence of dynamic…

Materials Science · Physics 2014-11-05 O. V. Varenyk , M. V Silibin , D. A Kiselev , E. A. Eliseev , S. V. Kalinin , A. N. Morozovska

In this work we develop a simple equivalent circuit model (ECM) that predicts the spectral response of a lumped-element loaded single patterned layer reflective metasurface. The proposed ECM maintains accuracy across varying design…

In simulations of metallic interfaces, a critical aspect of metallic behavior is missing from the some of the most widely used classical molecular dynamics force fields. We present a modification of the embedded atom method (EAM) which…

Materials Science · Physics 2019-04-02 Hemanta Bhattarai , Kathie E. Newman , J. Daniel Gezelter

The Poisson-Nernst-Planck (PNP) diffusional model for the immittance or impedance spectroscopy response of an electrolytic cell in a finite-length situation is extended to a general framework. In this new formalism, the bulk behavior of the…

The ultraconfined light of plasmonic modes put their effective wavelength close to the mean free path of electrons inside the metal electron gas. The Drude model, which can not take the repulsive interactions of electrons into account, then…

Optics · Physics 2021-06-23 Emilie Sakat , Antoine Moreau , Jean-Paul Hugonin

A set of nonlinear equations for the macroscopic theory of elastic semiconductors is derived which generalizes the seminal work of Tiersten by including the inertia of the mobile charge carriers. The equations obtained can describe carrier…

Materials Science · Physics 2024-03-13 Jiashi Yang

Atomic Force Microscopy (AFM) combined with electrical modes provides a powerful contactless approach to characterize material electrical properties at the nanoscale. However, conventional electrostatic models often overlook dynamic charge…

Mesoscale and Nanoscale Physics · Physics 2025-08-26 Mario Navarro-Rodriguez , Paul Philip Schmidt , Regina Hoffmann-Vogel , Andres M. Somoza , Elisa Palacios-Lidon

Topological semimetals are gapless states of matter which have robust surface states and interesting electromagnetic responses. In this paper, we consider the electromagnetic response of gapless phases in $3+1$-dimensions with line nodes.…

Mesoscale and Nanoscale Physics · Physics 2017-03-01 Srinidhi T. Ramamurthy , Taylor L. Hughes

We study the potential and the charge distribution across the interface of a plasma and a dielectric wall. For this purpose, the charge bound to the wall is modelled as a quasi-stationary electron surface layer which satisfies Poisson's…

Plasma Physics · Physics 2015-05-30 Rafael L. Heinisch , Franz X. Bronold , Holger Fehske

The structure of dilute electrolyte solutions close to a surface carrying a spatially inhomogeneous surface charge distribution is investigated by means of classical density functional theory (DFT) within the approach of fundamental measure…

Soft Condensed Matter · Physics 2020-06-23 Maximilian Mußotter , Markus Bier , S. Dietrich

The Hubbard model on a semi-infinite three-dimensional lattice is considered to investigate electron-correlation effects at single-crystal surfaces. The standard second-order perturbation theory in the interaction U is used to calculate the…

Strongly Correlated Electrons · Physics 2009-10-30 M. Potthoff , W. Nolting