Unified character of correlation effects in unconventional Pu-based superconductors and \delta-Pu

Electronic structure calculations combining the local-density approximation with an exact diagonalization of the Anderson impurity model show an intermediate 5f^5-5f^6-valence ground state and delocalization of the 5f^5 multiplet of the Pu atom 5f-shell in PuCoIn_5, PuCoGa_5, and \delta-Pu. The 5f-local magnetic moment is compensated by a moment formed in the surrounding cloud of conduction electrons. For PuCoGa_5 and \delta-Pu the compensation is complete and the Anderson impurity ground state is a singlet. For PuCoIn_5 the compensation is partial and the Pu ground state is magnetic. We suggest that the unconventional d-wave superconductivity is likely mediated by the 5f-states antiferromagnetic fluctuations in PuCoIn_5, and by valence fluctuations in PuCoGa_5.Comment: 5 pages, 3 figure

Small Energy Scale for Mixed-Valent Uranium Materials

We investigate a two-channel Anderson impurity model with a $5f^1$ magnetic and a $5f^2$ quadrupolar ground doublet, and a $5f^2$ excited triplet. Using the numerical renormalization group method, we find a crossover to a non-Fermi liquid state below a temperature $T^*$ varying as the $5f^2$ triplet-doublet splitting to the 7/2 power. To within numerical accuracy, the non-linear magnetic susceptibility and the $5f^1$ contribution to the linear susceptibility are given by universal one-parameter scaling functions. These results may explain UBe$_{13}$ as mixed valent with a small crossover scale $T^*$.Comment: 4 pages, 3 figures, REVTeX, to appear in Phys. Rev. Let

Itinerant U 5f band states in the layered compound UFeGa5 observed by soft X-ray angle-resolved photoemission spectroscopy

We have performed angle-resolved photoemission spectroscopy (ARPES) experiments on paramagnetic UFeGa5 using soft X-ray synchrotron radiation (hn=500eV) and derived the bulk- and U 5f-sensitive electronic structure of UFeGa5. Although the agreement between the experimental band structure and the LDA calculation treating U 5f electrons as being itinerant is qualitative, the morphology of the Fermi surface is well explained by the calculation, suggesting that the U 5f states can be essentially understood within the itinerant-electron model.Comment: 13 pages, 4 figur

Spectral Properties of delta-Plutonium: Sensitivity to 5f Occupancy

By combining the local density approximation (LDA) with dynamical mean field theory (DMFT), we report a systematic analysis of the spectral properties of $\delta$-plutonium with varying $5f$ occupancy. The LDA Hamiltonian is extracted from a tight-binding (TB) fit to full-potential linearized augmented plane-wave (FP-LAPW) calculations. The DMFT equations are solved by the exact quantum Monte Carlo (QMC) method and the Hubbard-I approximation. We have shown for the first time the strong sensitivity of the spectral properties to the $5f$ occupancy, which suggests using this occupancy as a fitting parameter in addition to the Hubbard $U$. By comparing with PES data, we conclude that the ``open shell'' $5f^{5}$ configuration gives the best agreement, resolving the controversy over $5f$ ``open shell'' versus ``close shell'' atomic configurations in $\delta$-Pu.Comment: 6 pages, 2 embedded color figures, to appear in Physical Review