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  4. Quasiparticle effects in the bulk and surface-state bands of Bi2Se3 and Bi2Te3 topological insulators
 
research article

Quasiparticle effects in the bulk and surface-state bands of Bi2Se3 and Bi2Te3 topological insulators

Yazyev, Oleg V.  
•
Kioupakis, Emmanouil
•
Moore, Joel E.
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2012
Physical Review B

We investigate the bulk band structures and the surface states of Bi2Se3 and Bi2Te3 topological insulators using first-principles many-body perturbation theory based on the GW approximation. The quasiparticle self-energy corrections introduce significant changes to the bulk band structures, surprisingly leading to a decrease in the direct band gaps in the band-inversion regime as opposed to the usual situation without band inversion. Parametrized "scissors operators" derived from the bulk studies are then used to investigate the electronic structure of slab models which exhibit topologically protected surface states. The introduction of self-energy corrections results in significant shifts of the surface-state Dirac point energies relative to the bulk bands and in enlarged gap openings from the interactions between the surface states across the thin slab, both in agreement with experimental data.

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Type
research article
DOI
10.1103/PhysRevB.85.161101
Web of Science ID

WOS:000302615900001

Author(s)
Yazyev, Oleg V.  
•
Kioupakis, Emmanouil
•
Moore, Joel E.
•
Louie, Steven G.
Date Issued

2012

Published in
Physical Review B
Volume

85

Article Number

161101

Subjects

Single Dirac Cone

•

Wannier Functions

•

Semiconductors

•

Chalcogenides

Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
C3MP  
Available on Infoscience
May 11, 2012
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/80231
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