Title
Convergence of quasiparticle band structures of Si and Ge nanowires in the **GW** approximation and the validity of scissor shifts Convergence of quasiparticle band structures of Si and Ge nanowires in the **GW** approximation and the validity of scissor shifts
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Lancaster, Pa ,
Subject
Physics
Source (journal)
Physical review : B : condensed matter and materials physics. - Lancaster, Pa, 1998 - 2015
Volume/pages
83(2011) :4 , p. 045306,1-045306,6
ISSN
1098-0121
Article Reference
045306
ISI
000286771400004
Carrier
E-only publicatie
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Starting from fully converged density-functional theory calculations, the quasiparticle corrections are calculated for different sized Si and Ge nanowires using the GW approximation. The effectiveness of recently developed techniques in speeding up the convergence of the quasiparticle calculations is demonstrated. The complete quasiparticle band structures are also obtained using an interpolation technique based on maximallylocalized Wannier functions. From the quasiparticle results, we assess the correctness of the commonly applied scissor-shift correction. Dispersion changes are observed, which are also reflected in changes in the effective band masses calculated taking into account quasiparticle corrections.
Full text (open access)
https://repository.uantwerpen.be/docman/irua/c72b89/1298c354.pdf
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