Self-Consistent Calculations of Quasiparticle States in Metals and Semiconductors

Wolf-Dieter Schöne and Adolfo G. Eguiluz
Phys. Rev. Lett. 81, 1662 – Published 24 August 1998
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Abstract

We solve the Dyson equation for the one-particle Green's function in a periodic solid self-consistently within the shielded-interaction (or GW) approximation. The effect of self-consistency (propagator renormalization) is found to be substantial. We illustrate this finding via calculations of quasiparticle states in K and Si. In the case of Si we show that the current standard of ab initio quasiparticle theory, the GW self-energy diagram, fails to account for the observed value of the absolute band gap—if properly, i.e., self-consistently, evaluated.

  • Received 18 May 1998

DOI:https://doi.org/10.1103/PhysRevLett.81.1662

©1998 American Physical Society

Authors & Affiliations

Wolf-Dieter Schöne and Adolfo G. Eguiluz

  • Department of Physics and Astronomy, The University of Tennessee, Knoxville, Tennessee 37996-1200
  • and Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6030

Comments & Replies

Eguiluz Replies:

Adolfo G. Eguiluz
Phys. Rev. Lett. 83, 242 (1999)

Comment on “Self-Consistent Calculations of Quasiparticle States in Metals and Semiconductors”

D. Tamme, R. Schepe, and K. Henneberger
Phys. Rev. Lett. 83, 241 (1999)

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Vol. 81, Iss. 8 — 24 August 1998

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