Electronic properties of Fibonacci and random Si–Ge chains

In this paper we address a theoretical calculation of the electronic spectra of an Si–Ge atomic chain that is arranged in a Fibonacci quasi-periodic sequence, by using a semi-empirical quantum method based on the Hückel extended model. We apply the Fibonacci substitutional sequences in the atomic bu...

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Principais autores:	Vasconcelos, Manoel Silva de, Azevedo, David L., Hadad, A., Galvão, D. S.
Formato:	article
Idioma:	English
Publicado em:	IOP Publishing
Assuntos:	Si–Ge atomic Schrodinger equation
Endereço do item:	https://repositorio.ufrn.br/jspui/handle/123456789/30177
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spelling	ri-123456789-301772022-10-20T19:25:08Z Electronic properties of Fibonacci and random Si–Ge chains Vasconcelos, Manoel Silva de Azevedo, David L. Hadad, A. Galvão, D. S. Si–Ge atomic Schrodinger equation In this paper we address a theoretical calculation of the electronic spectra of an Si–Ge atomic chain that is arranged in a Fibonacci quasi-periodic sequence, by using a semi-empirical quantum method based on the Hückel extended model. We apply the Fibonacci substitutional sequences in the atomic building blocks A(Si) and B(Ge) through the inflation rule or a recursion relation. In our ab initio calculations we use only a single point, which is sufficient for considering all the orbitals and charge distribution across the entire system. Although the calculations presented here are more complete than the models adopted in the literature which take into account the electronic interaction only up to the second and third neighbors, an interesting property remains in their electronic spectra: the fractality (which is the main signature of this kind of system). We discuss this fractality of the spectra and we compare them with the random arrangement of the Si–Ge atomic chain, and with previous results based on the tight-binding approximation of the Schrödinger equation considering up to the nearest neighbor 2020-09-23T14:21:50Z 2020-09-23T14:21:50Z 2011 article VASCONCELOS, M.S.; AZEVEDO, David L.; HADAD, A.; GALVÃO, D. S.. Electronic properties of Fibonacci and random Si–Ge chains. Journal of Physics: Condensed Matter, [s.l.], v. 23, n. 40, p. 405501, 21 set. 2011. Disponível em: https://iopscience.iop.org/article/10.1088/0953-8984/23/40/405501. Acesso em: 09 set. 2020. http://dx.doi.org/10.1088/0953-8984/23/40/405501. 0953-8984 1361-648X https://repositorio.ufrn.br/jspui/handle/123456789/30177 10.1088/0953-8984/23/40/405501 en IOP Publishing
institution	Repositório Institucional
collection	RI - UFRN
language	English
topic	Si–Ge atomic Schrodinger equation
spellingShingle	Si–Ge atomic Schrodinger equation Vasconcelos, Manoel Silva de Azevedo, David L. Hadad, A. Galvão, D. S. Electronic properties of Fibonacci and random Si–Ge chains
description	In this paper we address a theoretical calculation of the electronic spectra of an Si–Ge atomic chain that is arranged in a Fibonacci quasi-periodic sequence, by using a semi-empirical quantum method based on the Hückel extended model. We apply the Fibonacci substitutional sequences in the atomic building blocks A(Si) and B(Ge) through the inflation rule or a recursion relation. In our ab initio calculations we use only a single point, which is sufficient for considering all the orbitals and charge distribution across the entire system. Although the calculations presented here are more complete than the models adopted in the literature which take into account the electronic interaction only up to the second and third neighbors, an interesting property remains in their electronic spectra: the fractality (which is the main signature of this kind of system). We discuss this fractality of the spectra and we compare them with the random arrangement of the Si–Ge atomic chain, and with previous results based on the tight-binding approximation of the Schrödinger equation considering up to the nearest neighbor
format	article
author	Vasconcelos, Manoel Silva de Azevedo, David L. Hadad, A. Galvão, D. S.
author_facet	Vasconcelos, Manoel Silva de Azevedo, David L. Hadad, A. Galvão, D. S.
author_sort	Vasconcelos, Manoel Silva de
title	Electronic properties of Fibonacci and random Si–Ge chains
title_short	Electronic properties of Fibonacci and random Si–Ge chains
title_full	Electronic properties of Fibonacci and random Si–Ge chains
title_fullStr	Electronic properties of Fibonacci and random Si–Ge chains
title_full_unstemmed	Electronic properties of Fibonacci and random Si–Ge chains
title_sort	electronic properties of fibonacci and random si–ge chains
publisher	IOP Publishing
publishDate	2020
url	https://repositorio.ufrn.br/jspui/handle/123456789/30177
work_keys_str_mv	AT vasconcelosmanoelsilvade electronicpropertiesoffibonacciandrandomsigechains AT azevedodavidl electronicpropertiesoffibonacciandrandomsigechains AT hadada electronicpropertiesoffibonacciandrandomsigechains AT galvaods electronicpropertiesoffibonacciandrandomsigechains
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Electronic properties of Fibonacci and random Si–Ge chains

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