Spin fluctuations and the peak-dip-hump feature in the photoemission spectrum of actinides.
We present first-principles multiband spin susceptibility calculations within the random-phase approximation for four isostructural superconducting PuCoIn{5}, PuCoGa{5}, PuRhGa{5}, and nonsuperconducting UCoGa{5} actinides. The results show that a strong peak in the spin-fluctuation dressed self-energy is present around 0.5 eV in all materials, which is mostly created by 5f electrons. These fluctuations couple to the single-particle spectrum and give rise to a peak-dip-hump feature, characteristic of the coexistence of itinerant and localized electronic states. Results are in quantitative agreement with photoemission spectra. Finally, we show that the studied actinides can be understood within the rigid-band filling approach, in which the spin-fluctuation coupling constant follows the same materials dependence as the superconducting transition temperature T{c}.
Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Tanmoy
T
Das
Jian-Xin
JX
Zhu
Matthias J
MJ
Graf