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Issue 42, 2012
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Interaction of oxygen vacancies in yttrium germanates

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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/GeO2 system. We employ electronic structure calculations to investigate the effect of oxygen vacancies in yttrium-doped GeO2 and the yttrium germanates Y2Ge2O7 and Y2GeO5. The calculated densities of states indicate that dangling bonds from oxygen vacancies introduce in-gap states, but the system remains insulating. However, yttrium-doped GeO2 becomes metallic under oxygen deficiency. Y-doped GeO2, Y2Ge2O7 and Y2GeO5 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.

Graphical abstract: Interaction of oxygen vacancies in yttrium germanates

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Publication details

The article was received on 02 Apr 2012, accepted on 07 Sep 2012 and first published on 07 Sep 2012

Article type: Paper
DOI: 10.1039/C2CP42380D
Citation: Phys. Chem. Chem. Phys., 2012,14, 14630-14634
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    Interaction of oxygen vacancies in yttrium germanates

    H. Wang, A. Chroneos, A. Dimoulas and U. Schwingenschlögl, Phys. Chem. Chem. Phys., 2012, 14, 14630
    DOI: 10.1039/C2CP42380D

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