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November 20, 1980Journal of Physics C Solid State Physics92 citations

Cohesive properties of CaF2and UO2in the atomic sphere approximation

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PKPaul J. KellyMBM. S. S. Brooks

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Abstract

The zero-temperature equations of state of UO2 and CaF2 have been computed from semi-relativistic LMTO calculations. The calculated lattice parameters are 1/2% above and 5% below the experimentally determined equilibria for UO2 and CaF2 respectively. The computed bulk moduli are 3.0*1012 and 0.71*1012 dyn cm-2 and the band gap of UO2 is found to be 5.35 eV.

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Cite This Study

Kelly et al. (1980) studied this question.

synapsesocial.com/papers/6a212cf77ff9984d8d9d141dhttps://doi.org/10.1088/0022-3719/13/32/004
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