Density-functional study of bcc Pu-U, Pu-Np, Pu-Am, and Pu-Cm alloys

Density-functional theory previously used to describe phase equilibria in the γ-Pu-U-Zr alloys [A. Landa, P. Söderlind, P.E.A. Turchi, L. Vitos, A. Ruban, J. Nucl. Mater. 385 (2009) 68; A. Landa, P. Söderlind, P.E.A. Turchi, L. Vitos, A. Ruban, J. Nucl. Mater. 393 (2009) 141], is extended to study ground-state properties of the γ-Pu-Np, γ-Pu-Am, and γ-Pu-Cm solid solutions. Calculated heats of formation are compared with CALPHAD assessments where possible. We discuss how the heat of formation correlates with the charge transfer between the alloy components.