Actinide oxides under pressure
ORAL
Abstract
We use the self-interaction corrected local spin density approximation to investigate the oxidation of actinide dioxides under pressure. The methodology enables us to determine the ground state valency configuration of the actinide 5f electrons and to study the localization/delocalization transition that occurs under pressure. We argue that this delocalization facilitates the oxidation of the actinide dioxides and present results for the estimated transition pressures.
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Authors
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Leon Petit
Daresbury Laboratory
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G. Malcolm Stocks
Oak Ridge National Laboratory
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Martin Lueders
Daresbury Laboratory
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Zdzislawa Szotek
Daresbury Laboratory
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Walter Temmerman
Daresbury Laboratory
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A. Svane
Aarhus University, Denmark, Aarhus University