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dc.contributor.authorWang, Hao
dc.contributor.authorChroneos, Alexander
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2014-04-13T12:29:26Z
dc.date.available2014-04-13T12:29:26Z
dc.date.issued2013-02-28
dc.identifier.citationWang H, Chroneos A, Schwingenschlögl U (2013) Mechanism of dopant-vacancy association in --quartz GeO2. Journal of Applied Physics 113: 083716. doi:10.1063/1.4793786.
dc.identifier.issn00218979
dc.identifier.doi10.1063/1.4793786
dc.identifier.urihttp://hdl.handle.net/10754/315743
dc.description.abstractImproving the electron mobility of devices such as Ge metal oxide semiconductor field effect transistors requires good Ge/dielectric interfaces. GeO2 thus is reconsidered as a passivation layer for Ge. However, O-vacancies need to be controlled as they have a deleterious impact on the properties. We employ electronic structure calculations to investigate the introduction of trivalent ions (Al, Y, and La) in α-quartz GeO2. The binding energies of the dopant-vacancy pairs reveal that dopants can be used to control the O-vacancies and reduce the induced dangling bonds. It is proposed that the introduction of Al will limit the concentration of O-vacancies at low Fermi energy.
dc.language.isoen
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/113/8/10.1063/1.4793786
dc.rightsArchived with thanks to Journal of Applied Physics
dc.titleMechanism of dopant-vacancy association in α-quartz GeO2
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJournal of Applied Physics
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdom
dc.contributor.institutionMaterials Engineering, Open University, Milton Keynes MK7 6AA, United Kingdom
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personWang, Hao
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T04:16:22Z


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