Electronic structure and nonmagnetic character of $\delta \text{−}\mathrm{Pu}\text{−}\mathrm{Am}$ alloys

The around-mean-field $\mathrm{LSDA}+\mathrm{U}$ correlated band theory is applied to investigate the electronic and magnetic structure of $\mathrm{fcc}\text{−}\mathrm{Pu}\text{−}\mathrm{Am}$ alloys. Despite a lattice expansion caused by the Am atoms, neither a tendency to $5f$ localization nor the formation of local magnetic moments on Pu atoms in $\mathrm{Pu}\text{−}\mathrm{Am}$ alloys is found. The $5f$ manifolds in the alloys are calculated, being very similar to a simple weighted superposition of elemental Pu and Am $5f$ states.

Figure 1

(Color online) (Top) The DOS (TDOS total and fDOS projected) for $\mathrm{fcc}\text{−}\mathrm{Am}$ from LSDA (inset) and $\mathrm{AMF}\text{−}\mathrm{LSDA}+\mathrm{U}=4\mathrm{eV}$ calculations. (Bottom) The TDOS and fDOS for the ${\mathrm{Pu}}_3\mathrm{Am}$ alloy.

Figure 2

(Color online) Upper panel: valence-band photoelectron spectra ($40.81\mathrm{eV}$ photon energy) for Am and $\delta \text{−}\mathrm{Pu}$. The lower panel displays the calculated ground-state DOS for Am and $\delta \text{−}\mathrm{Pu}$ and the position of excitations obtained from the atomic calculations of Am (black).