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An Investigation of the Pressure-induced Superconductivity Transition Temperature Tc and Related Properties in Elemental Superconductors

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dc.contributor.advisor Papaconstantopoulos, Dimitrios A.
dc.contributor.author Nixon, Lane W.
dc.creator Nixon, Lane W.
dc.date 2010-11-17
dc.date.accessioned 2011-05-06T19:40:08Z
dc.date.available NO_RESTRICTION en_US
dc.date.available 2011-05-06T19:40:08Z
dc.date.issued 2011-05-06
dc.identifier.uri https://hdl.handle.net/1920/6248
dc.description.abstract More than half of the elements in the periodic table, 53 out of 92, are known to be superconductors with 23 elements becoming superconductors with increased pressure [1–3]. This thesis explores the electronic-structure for a wide variety of crystal structures for several elemental materials by first-principles methods to determine the pressure-dependent electronic, structural and superconductivity transition temperature Tc properties. Elements that have been investigated are scandium, lanthanum, europium, and phosphorus. Particular focus is given to systems with limited experimentally measured superconductivity information such as europium. Total energy and density of states information from first-principles electronic structure calculations have been used as input to the McMillan equation to determine the parameters that control superconductivity. The electron-phonon coupling has been determined by using the rigid muffin-tin approximation (RMTA) and density functional theory. The calculated electronic, structural, and superconductivity properties generally agree well with experiment.
dc.language.iso en_US en_US
dc.subject pressure-induced superconductivity en_US
dc.subject denstiy functional theory en_US
dc.subject rigid muffin-tin approximation en_US
dc.subject first-principles en_US
dc.title An Investigation of the Pressure-induced Superconductivity Transition Temperature Tc and Related Properties in Elemental Superconductors en_US
dc.type Dissertation en
thesis.degree.name PhD in Computational Sciences and Informatics en_US
thesis.degree.level Doctoral en
thesis.degree.discipline Computational Sciences and Informatics en
thesis.degree.grantor George Mason University en


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