Elastic properties of Pu metal and Pu-Ga alloys

2010 
We present elastic properties, theoretical and experimental, of Pu metal and Pu-Ga ({delta}) alloys together with ab initio equilibrium equation-of-state for these systems. For the theoretical treatment we employ density-functional theory in conjunction with spin-orbit coupling and orbital polarization for the metal and coherent-potential approximation for the alloys. Pu and Pu-Ga alloys are also investigated experimentally using resonant ultrasound spectroscopy. We show that orbital correlations become more important proceeding from {alpha} {yields} {beta} {yields} {gamma} plutonium, thus suggesting increasing f-electron correlation (localization). For the {delta}-Pu-Ga alloys we find a softening with larger Ga content, i.e., atomic volume, bulk modulus, and elastic constants, suggest a weakened chemical bonding with addition of Ga. Our measurements confirm qualitatively the theory but uncertainties remain when comparing the model with experiments.
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