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dc.creatorChan, T. L.en
dc.creatorTiago, M. L.en
dc.creatorChelikowsky, J. R.en
dc.date.accessioned2015-04-16T14:47:59Zen
dc.date.available2015-04-16T14:47:59Zen
dc.date.issued2007-09en
dc.identifier.citationTzu‐Liang Chan, Murilo L. Tiago, and James R. Chelikowsky. AIP Conference Proceedings 931, 555 (Sep., 2007); doi: 10.1063/1.2799436en
dc.identifier.issn0094-243Xen
dc.identifier.issn978-0-7354-0441-0en
dc.identifier.urihttp://hdl.handle.net/2152/29448en
dc.description.abstractRecent progress in developing algorithms for solving the electronic structure problem for nanostructures is illustrated. Key ingredients in this approach include pseudopotentials implemented on a real space grid and the use of density functional theory. This procedure allows one to predict electronic properties for many materials across the nano-regime, i.e., from atoms to nanocrystals of sufficient size to replicate bulk properties. We will illustrate this method for doping silicon nanocrystals with phosphorous.en
dc.language.isoEnglishen
dc.rightsAdministrative deposit of works to UT Digital Repository: This works author(s) is or was a University faculty member, student or staff member; this article is already available through open access or the publisher allows a PDF version of the article to be freely posted online. The library makes the deposit as a matter of fair use (for scholarly, educational, and research purposes), and to preserve the work and further secure public access to the works of the University.en
dc.subjectnanostructuresen
dc.subjectdopingen
dc.subjectcomputational methodsen
dc.subjectalgorithmsen
dc.subjectpseudopotentialsen
dc.subjectnanocrystalsen
dc.subjectnanowiresen
dc.subjectelectronic-structure calculationsen
dc.subjectdensity-functional theoryen
dc.subjectoptical-propertiesen
dc.subjectsi nanocrystalsen
dc.subjectporous siliconen
dc.subjectdotsen
dc.subjectnanostructuresen
dc.subjectabsorptionen
dc.subjectstatesen
dc.subjectgapen
dc.subjectnanoscience & nanotechnologyen
dc.subjectmaterials science, characterization &en
dc.subjecttestingen
dc.titleDoping Nanocrystals And The Role Of Quantum Confinementen
dc.typeArticleen
dc.description.departmentInstitute for Computational Engineering and Sciences (ICES)en
dc.identifier.doi10.1063/1.2799436en
dc.contributor.utaustinauthorChan, Tzu‐Liangen
dc.contributor.utaustinauthorTiago, Murillo L.en
dc.contributor.utaustinauthorChelikowsky, James R.en
dc.relation.ispartofserialFrontiers of Characterization and Metrology for Nanoelectronics: 2007en_US


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