Ab initio study of gallium stabilized δ-plutonium alloys and hydrogen-vacancy complexes.


All-electron density functional theory was used to investigate δ-plutonium (δ-Pu) alloyed with gallium (Ga) impurities at 3.125, 6.25, 9.375 atomic (at)% Ga concentrations. The results indicated that the lowest energy structure is anti-ferromagnetic, independent of the Ga concentration. At higher Ga concentrations (>3.125 at%), the position of the Ga atoms… (More)
DOI: 10.1088/0953-8984/26/23/235502


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