Orbital ordering and volume collapse in cerium
ORAL
Abstract
Realistic all-orbital many-body calculations are performed for cerium, covering a large volume range. $16$-orbital cerium model Hamiltonians are obtained from the local-density approximation and solved using the fluctuation-exchange approximation. It is found that the thermodynamic behavior of cerium is coupled to orbital-ordering transitions of its $f$ electrons. Different arrangements of $f$ electrons occur for the $\alpha$- and $\gamma$-cerium; moreover, metastable solutions also exist. In addition magnetic and spectral properties are analyzed.
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Authors
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G\"{o}khan Esirgen
University of Southern California
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Andrew K. McMahan
Lawrence Livermore National Laboratory
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Richard T. Scalettar
University of California, Davis