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Germanium oxidation occurs by diffusion of oxygen network interstitials

Li, H and Robertson, J (2017) Germanium oxidation occurs by diffusion of oxygen network interstitials. Applied Physics Letters, 110. ISSN 0003-6951

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Abstract

© 2017 Author(s). Density functional modeling is used to show that germanium oxidation occurs by the diffusion of network oxygens across the film as peroxyl bridges, not by molecular O 2 interstitials (O 2 ). The smaller O bond angle of GeO 2 leads to lower order rings in the amorphous GeO 2 network than in SiO 2 . This leads to narrower interstitial diffusion channels, and less dilation of the interstitial volume around the transition state. This raises the migration barrier of O 2 ∗ in GeO 2 , so that the overall diffusion energy of O 2 ∗ in GeO 2 is now higher than that of a network O interstitial. The low formation energy of the O vacancy in GeO 2 leads to GeO 2 being O-poor very near the Ge/GeO 2 interface, but the lower overall diffusion energy of the O network interstitial than the vacancy leads to the network interstitial dominating diffusion.

Item Type: Article
Subjects: UNSPECIFIED
Divisions: Div B > Solid State Electronics and Nanoscale Science
Depositing User: Cron Job
Date Deposited: 17 Jul 2017 19:26
Last Modified: 16 Nov 2017 02:09
DOI: