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dc.contributor.advisorLusk, Mark T.
dc.contributor.authorBrawand, Nicholas P.
dc.date.accessioned2007-01-03T04:53:54Z
dc.date.accessioned2022-02-09T08:40:59Z
dc.date.available2014-05-01T04:18:44Z
dc.date.available2022-02-09T08:40:59Z
dc.date.issued2013
dc.identifierT 7231
dc.identifier.urihttps://hdl.handle.net/11124/78772
dc.description2013 Spring.
dc.descriptionIncludes illustrations (some color).
dc.descriptionIncludes bibliographical references (pages 53-57).
dc.description.abstractThe relationship between crystal structure and quantum confinement is quantified by computationally analyzing sets of silicon quantum dots associated with nine types of clathrates. Density functional theory is used to show that bulk energy gap between the highest occupied and lowest unoccupied Kohn-Sham orbitals varies by more than 1 eV, both above and below that of diamond silicon. The approach is also used to relate dot size to energy gap to identify a linear correlation between quantum confinement sensitivity and bulk-crystal effective mass. All clathrates are found to have a confinement sensitivity less than that of diamond silicon. Bulk properties (gap and effective mass) can therefore be used to identify clathrate semiconductors with promising optoelectronic properties. For example, the combined gap and confinement sensitivity of Type VII clathrate results in a low energy gap for quantum dots within 1 to 2 nm in diameter, making type VII worthy of consideration for efficient multiple exciton generation and other optoelectronic applications.
dc.format.mediumborn digital
dc.format.mediummasters theses
dc.languageEnglish
dc.language.isoeng
dc.publisherColorado School of Mines. Arthur Lakes Library
dc.relation.ispartof2010-2019 - Mines Theses & Dissertations
dc.rightsCopyright of the original work is retained by the author.
dc.subjecteffective mass
dc.subjectdensity functional theory
dc.subjectsilicon
dc.subjectquantum Dot
dc.subjectclathrate
dc.subjectquantum confinement
dc.subject.lcshClathrate compounds
dc.subject.lcshQuantum dots
dc.subject.lcshSilicon
dc.subject.lcshDensity functionals
dc.titleQuantum confinement in silicon clathrate quantum dots
dc.typeText
dc.contributor.committeememberLusk, Mark T.
dc.contributor.committeememberToberer, Eric
dc.contributor.committeememberWood, David M.
dcterms.embargo.terms2014-05-01
dcterms.embargo.expires2014-05-01
thesis.degree.nameMaster of Science (M.S.)
thesis.degree.levelMasters
thesis.degree.disciplinePhysics
thesis.degree.grantorColorado School of Mines
dc.rights.access1-year embargo


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