Issue 42, 2012

Interaction of oxygen vacancies in yttrium germanates

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/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

Article information

Article type
Paper
Submitted
02 Apr 2012
Accepted
07 Sep 2012
First published
07 Sep 2012

Phys. Chem. Chem. Phys., 2012,14, 14630-14634

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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