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dc.contributor.authorCastro, A.
dc.contributor.authorRäsänen, Esa
dc.contributor.authorRozzi, C.A.
dc.date.accessioned2020-11-19T10:57:38Z
dc.date.available2020-11-19T10:57:38Z
dc.date.issued2009
dc.identifier.citationCastro, A., Räsänen, E., & Rozzi, C. (2009). Exact Coulomb cutoff technique for supercell calculations in two dimensions. <i>Physical Review B</i>, <i>80</i>(3), Article 033102. <a href="https://doi.org/10.1103/PhysRevB.80.033102" target="_blank">https://doi.org/10.1103/PhysRevB.80.033102</a>
dc.identifier.otherCONVID_19392392
dc.identifier.otherTUTKAID_39435
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/72690
dc.description.abstractWe present a reciprocal space technique for the calculation of the Coulomb integral in two dimensions in systems with reduced periodicity, i.e., finite systems, or systems that are periodic only in one dimension. The technique consists of cutting off the long-range part of the interaction by modifying the expression for the Coulomb operator in reciprocal space. The physical result amounts in an effective screening of the spurious interactions originated by the presence of ghost periodic replicas of the system. This work extends a previous report C. A. Rozzi et al., Phys. Rev. B 73, 205119 2006 , where three-dimensional systems were considered. We show that the use of the cutoffs dramatically enhances the accuracy of the calculations, and it allows description of two-dimensional systems of reduced periodicity with substantially less computational effort. In particular, we consider quantum-dot arrays having potential applications in quantum information technology.fi
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.relation.ispartofseriesPhysical Review B
dc.rightsIn Copyright
dc.subject.othersupercell calculations
dc.titleExact Coulomb cutoff technique for supercell calculations in two dimensions
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202010216348
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2020-10-21T12:15:03Z
dc.description.reviewstatuspeerReviewed
dc.relation.issn2469-9950
dc.relation.numberinseries3
dc.relation.volume80
dc.type.versionpublishedVersion
dc.rights.copyright© 2009 American Physical Society
dc.rights.accesslevelopenAccessfi
dc.format.contentfulltext
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1103/PhysRevB.80.033102


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