### Session P16: Heavy Fermions- Mostly URu2Si2

8:00 AM–11:00 AM, Wednesday, February 29, 2012
Room: 251

Chair: Jason Jeffries, Lawrence Livermore National Laboratory

Abstract ID: BAPS.2012.MAR.P16.13

### Abstract: P16.00013 : Electronic Structure and Correlation Effects in PuCoIn$_5$ as Compared to PuCoGa$_5$

10:24 AM–10:36 AM

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#### Authors:

Jian-Xin Zhu
(Los Alamos National Laboratory)

P.H. Tobash
(Los Alamos National Laboratory)

E.D. Bauer
(Los Alamos National Laboratory)

F. Ronning
(Los Alamos National Laboratory)

B.L. Scott
(Los Alamos National Laboratory)

K. Haule
(Rutgers University)

G. Kotliar
(Rutgers University)

R.C. Albers
(Los Alamos National Laboratory)

J.M. Wills
(Los Alamos National Laboratory)

Since their discovery nearly a decade ago, plutonium-based superconductors have attracted considerable interest, which is now heightened by the latest discovery of superconductivity in PuCoIn$_5$. In the framework of density functional theory (DFT) within the generalized gradient approximation (GGA) together with dynamical mean-field theory (DMFT), we present a comparative study of the electronic structure of superconducting PuCoIn$_5$ with an expanded unit cell volume relative to its PuCoGa$_5$ cousin. Overall, a similar GGA-based electronic structure, including the density of states, energy dispersion, and Fermi surface topology, was found for both compounds. The GGA Pu 5$f$ band was narrower in PuCoIn$_5$ than in PuCoGa$_5$ due to the expanded lattice, resulting in an effective reduction of Kondo screening in the former system, as also shown by our DMFT calculations.

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2012.MAR.P16.13