Related papers: Surface-response functions obtained from equilibri…
The Feibelman $d$-parameter, a mesoscopic complement to the local bulk permittivity, describes quantum optical surface responses for interfaces, including nonlocality, spill-in and-out, and surface-enabled Landau damping. It has been…
A rigorous account of quantum nonlocal effects is paramount for understanding the optical response of metal nanostructures and for designing plasmonic devices at the nanoscale. Here, we present a scheme for retrieving the quantum surface…
Noble metal nanostructures are ubiquitous elements in nano-optics, supporting plasmon modes that can focus light down to length scales commensurate with nonlocal effects associated with quantum confinement and spatial dispersion in the…
Nonlocal and quantum mechanical phenomena in noble metal nanostructures become increasingly crucial when the relevant length scales in hybrid nanostructures reach the few-nanometer regime. In practice, such mesoscopic effects at…
We report extensive self-consistent calculations of jellium surface energies, by going beyond the local-density approximation. The density-response function of a bounded free-electron gas is evaluated within the random-phase approximation,…
We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…
We have computed the surface energies, work functions, and interlayer surface relaxations of clean (111), (110), and (100) surfaces of Al, Cu, Ru, Rh, Pd, Ag, Pt, and Au. Many of these metallic surfaces have technological or catalytic…
We report a general macroscopic theory for the electrodynamic response of semi-infinite metals (SIMs). The theory includes the hitherto overlooked capacitive effects due to the finite spatial extension of a surface. The basic structure of…
A systematic approach for the construction of a density functional for van der Waals interactions that also accounts for saturation effects is described, i.e. one that is applicable at short distances. A very efficient method to calculate…
We introduce a method for computing quantum mechanical forces through surface integrals over the stress tensor within the framework of density functional theory. This approach avoids the inaccuracies of traditional force calculations using…
We present a systematic theory connecting the nonlocal response kernel of a homogeneous medium to its effective surface susceptibilities for an arbitrary curved interface. Starting from the most general tensorial nonlocal constitutive…
We explore a new formalism to study the nonlinear electronic density response based on Kohn-Sham density functional theory (KS-DFT) at partially and strongly quantum degenerate regimes. It is demonstrated that the KS-DFT calculations are…
We have investigated the conditions necessary to achieve stronger Cherenkov-like instability of plasma waves leading to emission in the terahertz (THz) regime for semiconductor quantum wells (QWs). The surface response function is…
Plasmons in nanostructured metals are widely utilized to trigger strong light--matter interactions with quantum light sources. While the nonclassical behavior of such quantum emitters (QEs) is well-understood in this context, the role of…
Semi-local density functional approximations are widely used. None of them can capture the long-range van der Waals (vdW) attraction between separated subsystems, but they differ remarkably in the extent to which they capture…
We derived closed-form analytical expressions for the surface response functions (SRFs) for heterostructure. We investigate structures consisting of up to three layered, coated heterostructure of two-dimensional (2D) materials with a…
We obtain the ratio of semiclassical partition functions for the extension under mixed flux of the minimal surfaces subtending a circumference and a line in Euclidean $AdS_{3}\times S^{3}\times T^{4}$. We reduce the problem to the…
Nonequilibrium interfacial thermodynamics is formulated in the presence of surface reactions for the study of diffusiophoresis in isothermal systems. As a consequence of microreversibility and Onsager-Casimir reciprocal relations,…
We study the charge and current response functions $P$ and $\Pi$ in a semi-infinite metal block using the electron surface Green's functions. The surface electrons behave similarly to a two-dimensional Fermi gas but are strongly damped due…
The significant discrepancy between first-principles calculations and experimental analyses for the relaxation of the (001) surface of rhodium has been a puzzle for some years. In this paper we present density functional theory calculations…