Understanding topological insulators in real space
Author
dc.contributor.author
Pendás, Ángel Martín
Author
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Muñoz Sáez, Francisco Javier
Author
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Cárdenas Valencia, Carlos Alberto
Author
dc.contributor.author
Contreras García, Julia
Admission date
dc.date.accessioned
2021-12-16T18:45:49Z
Available date
dc.date.available
2021-12-16T18:45:49Z
Publication date
dc.date.issued
2021
Cita de ítem
dc.identifier.citation
Molecules 2021, 26, 2965.
es_ES
Identifier
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10.3390/molecules26102965
Identifier
dc.identifier.uri
https://repositorio.uchile.cl/handle/2250/183266
Abstract
dc.description.abstract
A real space understanding of the Su-Schrieffer-Heeger model of polyacetylene is introduced thanks to delocalization indices defined within the quantum theory of atoms in molecules. This approach enables to go beyond the analysis of electron localization usually enabled by topological insulator indices-such as IPR-enabling to differentiate between trivial and topological insulator phases. The approach is based on analyzing the electron delocalization between second neighbors, thus highlighting the relevance of the sublattices induced by chiral symmetry. Moreover, the second neighbor delocalization index, delta(i,i+2), also enables to identify the presence of chirality and when it is broken by doping or by eliminating atom pairs (as in the case of odd number of atoms chains). Hints to identify bulk behavior thanks to delta(1,3) are also provided. Overall, we present a very simple, orbital invariant visualization tool that should help the analysis of chirality (independently of the crystallinity of the system) as well as spreading the concepts of topological behavior thanks to its relationship with well-known chemical concepts.
es_ES
Patrocinador
dc.description.sponsorship
Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT)
CONICYT FONDECYT 1191353
1181121
CONICYT through REDES 190102
Centers of Excellence With Basal-Conicyt FB0807
Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT)
CONICYT PIA/BASAL AFB180001
Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT)
CONICYT PIA/ANILLOS ACT192023
supercomputing infrastructure of the NLHPC ECM-02
Spanish Government PGC2018-095953-B-I00
FICyT FC-GRUPIN-IDI/2018/000177
European Commission
Programa de Cooperacion Cientfifica ECOS-CONICYT ECOS170045
es_ES
Lenguage
dc.language.iso
en
es_ES
Publisher
dc.publisher
MDPI
es_ES
Type of license
dc.rights
Attribution-NonCommercial-NoDerivs 3.0 United States