Publicação: Wannier functions of cumulene: A tight-binding approach
| dc.contributor.author | Ribeiro, Allan V. [UNESP] | |
| dc.contributor.author | Nacbar, Denis R. | |
| dc.contributor.author | Bruno-Alfonso, Alexys [UNESP] | |
| dc.contributor.institution | Inst Fed Educ Ciencia & Tecnol Sao Paulo | |
| dc.contributor.institution | Universidade Estadual Paulista (Unesp) | |
| dc.date.accessioned | 2018-11-26T16:27:53Z | |
| dc.date.available | 2018-11-26T16:27:53Z | |
| dc.date.issued | 2016-03-01 | |
| dc.description.abstract | Exponentially localized Wannier functions of cumulene are calculated from the Bloch functions obtained through a tight-binding approach. Numerical results and discussions are given for the pi and sigma bands. In the latter case, the single-band Wannier functions are similar to the orbitals of a diatomic molecule, while the two-band Wannier functions resemble hybrid atomic orbitals. [GRAPHICS] Contour plot of an sp-like Wannier function of cumulene. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim | en |
| dc.description.affiliation | Inst Fed Educ Ciencia & Tecnol Sao Paulo, BR-16201407 Birigui, SP, Brazil | |
| dc.description.affiliation | Univ Estadual Paulista, Programa Posgrad Ciencia & Tecnol Mat, BR-17033360 Bauru, SP, Brazil | |
| dc.description.affiliation | Inst Fed Educ Ciencia & Tecnol Sao Paulo, BR-12929600 Braganca Paulista, SP, Brazil | |
| dc.description.affiliation | Univ Estadual Paulista, Fac Ciencias, Dept Matemat, BR-17033360 Bauru, SP, Brazil | |
| dc.description.affiliationUnesp | Univ Estadual Paulista, Programa Posgrad Ciencia & Tecnol Mat, BR-17033360 Bauru, SP, Brazil | |
| dc.description.affiliationUnesp | Univ Estadual Paulista, Fac Ciencias, Dept Matemat, BR-17033360 Bauru, SP, Brazil | |
| dc.description.sponsorship | Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) | |
| dc.description.sponsorship | Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) | |
| dc.description.sponsorship | Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) | |
| dc.description.sponsorshipId | CNPq: 310975/2014-0 | |
| dc.format.extent | 545-553 | |
| dc.identifier | http://dx.doi.org/10.1002/pssb.201552504 | |
| dc.identifier.citation | Physica Status Solidi B-basic Solid State Physics. Weinheim: Wiley-v C H Verlag Gmbh, v. 253, n. 3, p. 545-553, 2016. | |
| dc.identifier.doi | 10.1002/pssb.201552504 | |
| dc.identifier.issn | 0370-1972 | |
| dc.identifier.uri | http://hdl.handle.net/11449/161282 | |
| dc.identifier.wos | WOS:000371634800021 | |
| dc.language.iso | eng | |
| dc.publisher | Wiley-Blackwell | |
| dc.relation.ispartof | Physica Status Solidi B-basic Solid State Physics | |
| dc.relation.ispartofsjr | 0,602 | |
| dc.rights.accessRights | Acesso restrito | |
| dc.source | Web of Science | |
| dc.subject | carbon chains | |
| dc.subject | cumulene | |
| dc.subject | hybrid orbitals | |
| dc.subject | tight-binding calculations | |
| dc.subject | Wannier functions | |
| dc.title | Wannier functions of cumulene: A tight-binding approach | en |
| dc.type | Artigo | |
| dcterms.license | http://olabout.wiley.com/WileyCDA/Section/id-406071.html | |
| dcterms.rightsHolder | Wiley-Blackwell | |
| dspace.entity.type | Publication | |
| unesp.author.lattes | 1023310738730000[3] | |
| unesp.author.orcid | 0000-0002-6194-529X[3] | |
| unesp.department | Matemática - FC | pt |