First-principles calculation of the plasmon resonance and of the reflectance spectrum of silver in the GW approximation

Andrea Marini, Rodolfo Del Sole, and Giovanni Onida
Phys. Rev. B 66, 115101 – Published 3 September 2002
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Abstract

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.

  • Received 4 June 2002

DOI:https://doi.org/10.1103/PhysRevB.66.115101

©2002 American Physical Society

Authors & Affiliations

Andrea Marini1, Rodolfo Del Sole1, and Giovanni Onida1,2

  • 1Istituto Nazionale per la Fisica della Materia, Dipartimento di Fisica dell’Università di Roma “Tor Vergata” Via della Ricerca Scientifica 1, I-00133 Roma, Italy
  • 2Istituto Nazionale per la Fisica della Materia, Dipartimento di Fisica dell’Università di Milano, Via Celoria 16, I-20133 Milano, Italy

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Issue

Vol. 66, Iss. 11 — 15 September 2002

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