Wannier functions of isolated bands in one-dimensional crystals

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dc.contributor.authorBruno-Alfonso, A.
dc.contributor.authorNacbar, D. R.
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-20T13:26:30Z
dc.date.available2014-05-20T13:26:30Z
dc.date.issued2007-03-01
dc.description.abstractWe present a simple procedure to obtain the maximally localized Wannier function of isolated bands in one-dimensional crystals with or without inversion symmetry. First, we discuss the generality of dealing with real Wannier functions. Next, we use a transfer-matrix technique to obtain nonoptimal Bloch functions which are analytic in the wave number. This produces two classes of real Wannier functions. Then, the minimization of the variance of the Wannier functions is performed, by using the antiderivative of the Berry connection. In the case of centrosymmetric crystals, this procedure leads to the Wannier-Kohn functions. The asymptotic behavior of the Wannier functions is also analyzed. The maximally localized Wannier functions show the expected exponential and power-law decays. Instead, nonoptimal Wannier functions may show reduced exponential and anisotropic power-law decays. The theory is illustrated with numerical calculations of Wannier functions for conduction electrons in semiconductor superlattices.en
dc.description.affiliationUniv Estadual Paulista, Fac Ciências, Dept Matemat, BR-17033360 Bauru, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Fac Ciências, Dept Matemat, BR-17033360 Bauru, SP, Brazil
dc.format.extent17
dc.identifierhttp://dx.doi.org/10.1103/PhysRevB.75.115428
dc.identifier.citationPhysical Review B. College Pk: Amer Physical Soc, v. 75, n. 11, 17 p., 2007.
dc.identifier.doi10.1103/PhysRevB.75.115428
dc.identifier.fileWOS000245329600133.pdf
dc.identifier.issn1098-0121
dc.identifier.lattes1023310738730000
dc.identifier.urihttp://hdl.handle.net/11449/8548
dc.identifier.wosWOS:000245329600133
dc.language.isoeng
dc.publisherAmer Physical Soc
dc.relation.ispartofPhysical Review B
dc.relation.ispartofsjr1,604
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.titleWannier functions of isolated bands in one-dimensional crystalsen
dc.typeArtigo
dcterms.licensehttp://publish.aps.org/authors/transfer-of-copyright-agreement
dcterms.rightsHolderAmer Physical Soc
unesp.author.lattes1023310738730000[1]
unesp.author.orcid0000-0002-6194-529X[1]
unesp.campusUniversidade Estadual Paulista (Unesp), Faculdade de Ciências, Baurupt

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