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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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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 O₂ interstitials (O₂*). The smaller O bond angle of GeO₂ leads to lower order rings in the amorphous GeO₂ network than in SiO₂. This leads to narrower interstitial diffusion channels, and less dilation of the interstitial volume around the transition state. This raises the migration barrier of O₂∗ in GeO₂, so that the overall diffusion energy of O₂∗ in GeO₂ is now higher than that of a network O interstitial. The low formation energy of the O vacancy in GeO₂ leads to GeO₂ being O-poor very near the Ge/GeO₂ 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
Uncontrolled Keywords: Interstitial defects Vacancies Oxidation Germanium Elemental semiconductors
Divisions: Div B > Solid State Electronics and Nanoscale Science
Depositing User: Cron Job
Date Deposited: 17 Jul 2017 19:26
Last Modified: 10 Apr 2021 00:44
DOI: 10.1063/1.4984805