Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2010-12-11
Physics
Condensed Matter
Strongly Correlated Electrons
Main article: 5 pages, 3 figures. Supplementary info: 2 pages, 1 figure
Scientific paper
Actinide elements, such as uranium and plutonium, and their compounds are best known as nuclear materials. When engineering optimal fuel materials for nuclear power, important thermophysical properties to be considered are melting point and thermal conductivity. Understanding the physics underlying transport phenomena due to electrons and lattice vibrations in actinide systems is a crucial step toward the design of better fuels. Using first principle LDA+DMFT method, we conduct a systematic study on the correlated electronic structures and transport properties of select actinide carbides, nitrides, and oxides, many of which are nuclear fuel materials. We find that different mechanisms, electrons--electron and electron--phonon interactions, are responsible for the transport in the uranium nitride and carbide, the best two fuel materials due to their excellent thermophysical properties. Our findings allow us to make predictions on how to improve their thermal conductivities.
Haule Kristjan
Kotliar Gabriel
Kutepov Andrey
Pickett Warren E.
Savrasov Sergey Y.
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