Surface plasmons on Pd(110): An ab initio calculation

Quantum Plasmonics in Sub-Atom-Thick Optical Slots

“…Compared to phenomenological models of nonlocality commonly used, here we perform ab initio calculations of the response function of the Au(111) surface, which include the full many-body nonlocal dynamical screening by electrons in the specific atomic-scale configuration of the surface adlayer. 17 A finite-thickness-layer geometry, 33 which considers slabs of 21 atomic layers of Au(111), separated by a vacuum equivalent to 8 interlayer spacings, is periodically repeated in the z direction to obtain the Kohn−Sham electronic structure using our band structure tool. 34 In the response calculations, realized with an in-house code, 35 the adiabatic local density approximation (ALDA) is employed to account for the exchange-correlations.…”