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dc.creatorMcDonald, Benjamin Gordon
dc.date.accessioned2012-10-29T23:11:28Z
dc.date.available2012-10-29T23:11:28Z
dc.date.issued2012-10
dc.identifier.urihttp://hdl.handle.net/2376/4192
dc.descriptionThis is a research report by Benjamin McDonald submitted to the College of Arts and Sciences at Washington State University in October 2012. It describes the application of a computer program written by Kenneth Dorrance to calculate properties of Wigner-Seitz cells for a variety of crystal structures of interest in my research group. Ben and Ken are current physics majors at WSU Wigner-Seitz cells are the polyhedral spaces closest to each lattice site in a solid. They are know of as Voronoi tessellations in mathamatics. For more information, see http://en.wikipedia.org/wiki/Wigner–Seitz_unit_cell. Our interest is in the volumes of cells associated with different sites, the distances between a site and its neighboring sites, and the areas of contact between adjacent cells. Ben used the volumes and contact areas to “predict” lattice locations taken up by impurity atoms in solids. A site preference to occupy a lattice site is favored when there is a good match between the volume of the impurity atom and a site volume. It is also favored when contact areas between adjacent atoms of elements that bind strongly with each other. The particular impurity selected for study was indium, since many experiments are carried out in the Collins group using indium probe atoms. These considerations are used here to predict lattice locations taken up by indium atoms in about 15 different crystal structures. The research described herein was supported by the College of Arts and Sciences under a summer research minigrant awarded to Ben McDonald and in part by the National Science Foundation under grant DMR 09-04096 (Metals Program).en_US
dc.description.sponsorshipNational Science Foundation, Grant DMR 09-04096; Hyperfine Interactions Group, Department of Physics & Astronomy, Washington State University; College of Arts & Sciences summer research minigrant, Washington State Universityen_US
dc.languageEnglish
dc.relation.ispartofseriesNational Science Foundation Grant DMR 09-04096 Metals Program Technical Report;5
dc.rightsIn copyright
dc.rightsopenAccess
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/
dc.rights.urihttp://purl.org/eprint/accessRights/OpenAccess
dc.subjectcomputer program
dc.subjectcrystal structures
dc.subjectVoronoi tessellations
dc.titleGeometry of Wigner-Seitz cells in intermetallic compounds and application to site preferences of indium impurity atoms
dc.typeTechnical Report


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