KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Permanent link to this recordhttp://hdl.handle.net/10754/562019
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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.
CitationWang, H., Chroneos, A., Dimoulas, A., & Schwingenschlögl, U. (2012). Interaction of oxygen vacancies in yttrium germanates. Physical Chemistry Chemical Physics, 14(42), 14630. doi:10.1039/c2cp42380d
SponsorsAC and AD acknowledge financial support from the EU FP7-PEOPLE-2010-IEF project REACT-273631.
PublisherRoyal Society of Chemistry (RSC)
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