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Issue 27, 2009
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Local condensation around oxygen vacancies in t-LaNbO4 from first principles calculations

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Abstract

First principles calculations reveal that formation of a fully ionized oxide vacancy leads to local condensation of coordination polyhedra forming Nb3O117− in t-LaNbO4.

Graphical abstract: Local condensation around oxygen vacancies in t-LaNbO4 from first principles calculations

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Publication details

The article was received on 12 Aug 2008, accepted on 22 Apr 2009 and first published on 08 May 2009


Article type: Communication
DOI: 10.1039/B813881H
Phys. Chem. Chem. Phys., 2009,11, 5550-5553

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    Local condensation around oxygen vacancies in t-LaNbO4 from first principles calculations

    A. Kuwabara, R. Haugsrud, S. Stølen and T. Norby, Phys. Chem. Chem. Phys., 2009, 11, 5550
    DOI: 10.1039/B813881H

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