Interaction of oxygen vacancies in yttrium germanates

Handle URI:
http://hdl.handle.net/10754/562019
Title:
Interaction of oxygen vacancies in yttrium germanates
Authors:
Wang, Hao; Chroneos, Alexander I.; Dimoulas, Athanasios Dimoulas; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Forming a good Ge/dielectric interface is important to improve the electron mobility of a Ge metal oxide semiconductor field-effect transistor. A thin yttrium germanate capping layer can improve the properties of the Ge/GeO 2 system. We employ electronic structure calculations to investigate the effect of oxygen vacancies in yttrium-doped GeO 2 and the yttrium germanates Y 2Ge 2O 7 and Y 2GeO 5. The calculated densities of states indicate that dangling bonds from oxygen vacancies introduce in-gap states, but the system remains insulating. However, yttrium-doped GeO 2 becomes metallic under oxygen deficiency. Y-doped GeO 2, Y 2Ge 2O 7 and Y 2GeO 5 are calculated to be oxygen substoichiometric under low Fermi energy conditions. The use of yttrium germanates is proposed as a way to effectively passivate the Ge/dielectric interface. This journal is © 2012 the Owner Societies.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Physical Chemistry Chemical Physics
Issue Date:
2012
DOI:
10.1039/c2cp42380d
Type:
Article
ISSN:
14639076
Sponsors:
AC and AD acknowledge financial support from the EU FP7-PEOPLE-2010-IEF project REACT-273631.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorWang, Haoen
dc.contributor.authorChroneos, Alexander I.en
dc.contributor.authorDimoulas, Athanasios Dimoulasen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T09:42:57Zen
dc.date.available2015-08-03T09:42:57Zen
dc.date.issued2012en
dc.identifier.issn14639076en
dc.identifier.doi10.1039/c2cp42380den
dc.identifier.urihttp://hdl.handle.net/10754/562019en
dc.description.abstractForming a good Ge/dielectric interface is important to improve the electron mobility of a Ge metal oxide semiconductor field-effect transistor. A thin yttrium germanate capping layer can improve the properties of the Ge/GeO 2 system. We employ electronic structure calculations to investigate the effect of oxygen vacancies in yttrium-doped GeO 2 and the yttrium germanates Y 2Ge 2O 7 and Y 2GeO 5. The calculated densities of states indicate that dangling bonds from oxygen vacancies introduce in-gap states, but the system remains insulating. However, yttrium-doped GeO 2 becomes metallic under oxygen deficiency. Y-doped GeO 2, Y 2Ge 2O 7 and Y 2GeO 5 are calculated to be oxygen substoichiometric under low Fermi energy conditions. The use of yttrium germanates is proposed as a way to effectively passivate the Ge/dielectric interface. This journal is © 2012 the Owner Societies.en
dc.description.sponsorshipAC and AD acknowledge financial support from the EU FP7-PEOPLE-2010-IEF project REACT-273631.en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.titleInteraction of oxygen vacancies in yttrium germanatesen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalPhysical Chemistry Chemical Physicsen
dc.contributor.institutionMaterials Engineering, Open University, Milton Keynes, MK7 6AA, United Kingdomen
dc.contributor.institutionInstitute of Materials Science, NCSR Demokritos, GR-15310 Athens, Greeceen
kaust.authorWang, Haoen
kaust.authorSchwingenschlögl, Udoen
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