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| DOI | 10.3390/MOLECULES26102965 | ||||
| Año | 2021 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
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.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Pendás, Ángel Martín | Hombre |
Univ Oviedo - España
Universidad de Oviedo - España |
| 1 | Pendás, Angel Martín | - |
Universidad de Oviedo - España
|
| 1 | Martín Pendás, Angel | - |
Universidad de Oviedo - España
|
| 2 | MUNOZ-SAEZ, FRANCISCO JAVIER | Hombre |
Universidad de Chile - Chile
Centro para el Desarrollo de la Nanociencia y la Nanotecnologia - Chile |
| 3 | CARDENAS-CARVAJAL, CESAR ANTONIO | Hombre |
Universidad de Chile - Chile
Centro para el Desarrollo de la Nanociencia y la Nanotecnologia - Chile |
| 4 | Contreras-Garcia, Julia | Mujer |
Sorbonne Univ - Francia
CNRS - Francia Sorbonne Université - Francia |
| Fuente |
|---|
| FONDECYT |
| Fondo Nacional de Desarrollo Científico y Tecnológico |
| Comisión Nacional de Investigación Científica y Tecnológica |
| European Commission |
| Ministerio de Ciencia e Innovación |
| Spanish MICINN |
| supercomputing infrastructure of the NLHPC |
| CONICYT PIA/Anillo |
| FICyT |
| Center for the Development of Nanoscience and Nanotechnology CEDENNA |
| Fundación para el Fomento en Asturias de la Investigación Científica Aplicada y la Tecnología |
| CONICYT through REDES |
| European Union FEDER |
| Centers of Excellence with Basal-Conicyt |
| Programa de Cooperacion Cientfifica ECOS-CONICYT |
| Agradecimiento |
|---|
| C.C. acknowledges support by FONDECYT through project No. 1181121, CONICYT through REDES 190102 and Centers of Excellence With Basal-Conicyt Financing, Grant FB0807. F.M. acknowledges support by FONDECYT 1191353, the Center for the Development of Nanoscience and Nanotechnology CEDENNA AFB180001 and from Conicyt PIA/Anillo ACT192023. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). A.M.P. thanks the Spanish MICINN, grant PGC2018-095953-B-I00; the FICyT, grant FC-GRUPIN-IDI/2018/000177; and the European Union FEDER for funding. The international cooperation has been possible thanks to Programa de Cooperacion Cientfifica ECOS-CONICYT ECOS170045. |
| C.C. acknowledges support by FONDECYT through project No. 1181121, CONICYT through REDES 190102 and Centers of Excellence With Basal-Conicyt Financing, Grant FB0807. F.M. acknowledges support by FONDECYT 1191353, the Center for the Development of Nanoscience and Nanotechnology CEDENNA AFB180001 and from Conicyt PIA/Anillo ACT192023. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). A.M.P. thanks the Spanish MICINN, grant PGC2018-095953-B-I00; the FICyT, grant FC-GRUPIN-IDI/2018/000177; and the European Union FEDER for funding. The international cooperation has been possible thanks to Programa de Cooperación Cientfífica ECOS-CONICYT ECOS170045. |
| Funding: C.C. acknowledges support by FONDECYT through project No. 1181121, CONICYT through REDES 190102 and Centers of Excellence With Basal-Conicyt Financing, Grant FB0807. F.M. acknowledges support by FONDECYT 1191353, the Center for the Development of Nanoscience and Nanotechnology CEDENNA AFB180001 and from Conicyt PIA/Anillo ACT192023. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). A.M.P. thanks the Spanish MICINN, grant PGC2018-095953-B-I00; the FICyT, grant FC-GRUPIN-IDI/2018/000177; and the European Union FEDER for funding. The international cooperation has been possible thanks to Programa de Cooperación Cientfífica ECOS-CONICYT ECOS170045. |
| C.C. acknowledges support by FONDECYT through project No. 1181121, CONICYT through REDES 190102 and Centers of Excellence With Basal-Conicyt Financing, Grant FB0807. F.M. acknowledges support by FONDECYT 1191353, the Center for the Development of Nanoscience and Nanotechnology CEDENNA AFB180001 and from Conicyt PIA/Anillo ACT192023. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). A.M.P. thanks the Spanish MICINN, grant PGC2018-095953-B-I00; the FICyT, grant FC-GRUPIN-IDI/2018/000177; and the European Union FEDER for funding. The international cooperation has been possible thanks to Programa de Cooperación Cientfífica ECOS-CONICYT ECOS170045. |
| C.C. acknowledges support by FONDECYT through project No. 1181121, CONICYT through REDES 190102 and Centers of Excellence With Basal-Conicyt Financing, Grant FB0807. F.M. acknowledges support by FONDECYT 1191353, the Center for the Development of Nanoscience and Nanotechnology CEDENNA AFB180001 and from Conicyt PIA/Anillo ACT192023. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). A.M.P. thanks the Spanish MICINN, grant PGC2018-095953-B-I00; the FICyT, grant FC-GRUPIN-IDI/2018/000177; and the European Union FEDER for funding. The international cooperation has been possible thanks to Programa de Cooperación Cientfífica ECOS-CONICYT ECOS170045. |
| C.C. acknowledges support by FONDECYT through project No. 1181121, CONICYT through REDES 190102 and Centers of Excellence With Basal-Conicyt Financing, Grant FB0807. F.M. acknowledges support by FONDECYT 1191353, the Center for the Development of Nanoscience and Nanotechnology CEDENNA AFB180001 and from Conicyt PIA/Anillo ACT192023. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). A.M.P. thanks the Spanish MICINN, grant PGC2018-095953-B-I00; the FICyT, grant FC-GRUPIN-IDI/2018/000177; and the European Union FEDER for funding. The international cooperation has been possible thanks to Programa de Cooperación Cientfífica ECOS-CONICYT ECOS170045. |