Mechanism of dopant-vacancy association in α-quartz GeO2

Handle URI:
http://hdl.handle.net/10754/315743
Title:
Mechanism of dopant-vacancy association in α-quartz GeO2
Authors:
Wang, Hao; Chroneos, Alexander; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Improving 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Wang 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.
Publisher:
AIP Publishing
Journal:
Journal of Applied Physics
Issue Date:
28-Feb-2013
DOI:
10.1063/1.4793786
Type:
Article
ISSN:
00218979
Additional Links:
http://scitation.aip.org/content/aip/journal/jap/113/8/10.1063/1.4793786
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorWang, Haoen
dc.contributor.authorChroneos, Alexanderen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-04-13T12:29:26Z-
dc.date.available2014-04-13T12:29:26Z-
dc.date.issued2013-02-28en
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.en
dc.identifier.issn00218979en
dc.identifier.doi10.1063/1.4793786en
dc.identifier.urihttp://hdl.handle.net/10754/315743en
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.en
dc.language.isoenen
dc.publisherAIP Publishingen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/113/8/10.1063/1.4793786en
dc.rightsArchived with thanks to Journal of Applied Physicsen
dc.titleMechanism of dopant-vacancy association in α-quartz GeO2en
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalJournal of Applied Physicsen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdomen
dc.contributor.institutionMaterials Engineering, Open University, Milton Keynes MK7 6AA, United Kingdomen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorWang, Haoen
kaust.authorSchwingenschlögl, Udoen
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