We show that the position and width of the plasmon resonance in silver are correctly predicted by ab initio calculations including self-energy effects within the GW approximation. Unlike in simple metals and semiconductors, quasiparticle corrections play a key role and are essential to obtain electron energy loss in quantitative agreement with the experimental data. The sharp reflectance minimum at 3.92 eV, that cannot be reproduced within density-functional theory (DFT) in the local-density approximation (LDA), is also well described within GW. The present results solve two unsettled drawbacks of linear-response calculations for silver.
First-principles calculation of the plasmon resonance and of the reflectance spectrum of silver in the GW approximation / A. Marini, R. Del Sole, G. Onida. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 66:11(2002), pp. 115101.1151011-115101.1151015.
|Titolo:||First-principles calculation of the plasmon resonance and of the reflectance spectrum of silver in the GW approximation|
|Settore Scientifico Disciplinare:||Settore FIS/03 - Fisica della Materia|
|Data di pubblicazione:||2002|
|Digital Object Identifier (DOI):||http://dx.doi.org/10.1103/PhysRevB.66.115101|
|Appare nelle tipologie:||01 - Articolo su periodico|