Strain-tuneable bipolaron stability on ultranarrow bilayer graphene nanoribbon

Cassiano, Tiago de Sousa Araújo; Ribeiro Júnior, Luiz Antônio; Silva, Geraldo Magela e; Oliveira Neto, Pedro Henrique de

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Campo DC	Valor	Idioma
dc.contributor.author	Cassiano, Tiago de Sousa Araújo	-
dc.contributor.author	Ribeiro Júnior, Luiz Antônio	-
dc.contributor.author	Silva, Geraldo Magela e	-
dc.contributor.author	Oliveira Neto, Pedro Henrique de	-
dc.date.accessioned	2025-01-17T13:21:09Z	-
dc.date.available	2025-01-17T13:21:09Z	-
dc.date.issued	2024-01-12	-
dc.identifier.citation	CASSIANO, Tiago de Sousa Araújo et al. Strain-tuneable bipolaron stability on ultranarrow bilayer graphene nanoribbon. The Journal of Physical Chemistry C, [S. l.], v. 128, n. 3, 1433−1442, 12 Jan. 2024. DOI: https://doi.org/10.1021/acs.jpcc.3c07052.	pt_BR
dc.identifier.uri	http://repositorio.unb.br/handle/10482/51417	-
dc.language.iso	eng	pt_BR
dc.publisher	ACS Pulications	pt_BR
dc.rights	Acesso Restrito	pt_BR
dc.title	Strain-tuneable bipolaron stability on ultranarrow bilayer graphene nanoribbon	pt_BR
dc.type	Artigo	pt_BR
dc.subject.keyword	Bipolaron	pt_BR
dc.subject.keyword	Nanofitas de grafeno	pt_BR
dc.relation.publisherversion	https://pubs.acs.org/doi/10.1021/acs.jpcc.3c07052#	pt_BR
dc.description.abstract1	Van der Waals bilayer systems are promoting unparalleled advance in optoelectronics. Much of their impact resorts to the exotic quantum properties of quasiparticle physics. They arise after manipulating the electronic interlayer hopping integral (t⊥). However, it remains unclear how this interaction affects the formation of higher-order quasiparticles. In this work, we investigate the influence of t⊥ on the formation of charged quasiparticles in bilayer graphene nanoribbons using a tight binding model with lattice relaxation terms. The results show the existence of two distinct spinless carriers with 2e charge, lattice deformation, and intragap levels. These quasiparticles are characterized as bipolarons. Depending on the magnitude of t⊥, a transition between the configurations occurs for t⊥ ≈ 0.52 eV. Moreover, the bipolaron binding energy (BE) is determined. Results show that interlayer bipolarons are always more stable than the usual carrier, i.e., two independent polarons. Moreover, the stability degree can be regulated with t⊥, leading to variations up to 58% in BE. Therefore, our findings reveal that the population of polarons and bipolarons are potentially controllable via transversal mechanical stress. Our work reveals an exciting pathway to envision new strain-tuneable nanoelectronics using graphene nanoribbon bilayers.	pt_BR
dc.identifier.orcid	orcid.org/0000-0003-1526-9371	pt_BR
dc.identifier.orcid	orcid.org/0000- 0001-7468-2946	pt_BR
dc.identifier.orcid	orcid.org/0000-0002-8336-7718	pt_BR
dc.contributor.affiliation	University of Brasília, Institute of Physics	pt_BR
dc.contributor.affiliation	University of Brasília, Institute of Physics	pt_BR
dc.contributor.affiliation	University of Brasília, Institute of Physics	pt_BR
dc.contributor.affiliation	University of Brasília, Institute of Physics	pt_BR
dc.contributor.affiliation	University of Brasília, Institute of Physics, International Center of Physics	pt_BR
dc.description.unidade	Instituto de Física (IF)	pt_BR
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