Wednesday, July 25, 2012

1207.5563 (H. B. Rhee et al.)

PuPt2In7: a computational and experimental investigation    [PDF]

H. B. Rhee, F. Ronning, J. -X. Zhu, E. D. Bauer, J. N. Mitchell, P. H. Tobash, B. L. Scott, J. D. Thompson, Y. Jiang, C. H. Booth, W. E. Pickett
Flux-grown single crystals of PuPt$_2$In$_7$ are characterized and found to be both non-superconducting and non-magnetic down to 2 K. The Sommerfeld specific heat coefficient of $\sim 250$ mJ/mol K$^2$ indicates heavy fermion behavior. We report results of generalized gradient approximation (GGA)+$U$ calculations of PuPt$_2$In$_7$ and as yet unsynthesized isovalent PuPt$_2$Ga$_7$. The strength of the $c$-$f$ hybridization of PuPt$_2$In$_7$ is similar to the PuCoIn$_5$ superconductor. The bare and $f$-weighted susceptibility within the constant-matrix-element approximation is calculated, showing a maximum along the $q_z$ direction at $q_x = q_y = 0.5$. A similar and slightly stronger maximum is also found in the structurally related heavy-fermion materials PuCoGa$_5$ and PuCoIn$_5$. The absence of superconductivity in PuPt$_2$In$_7$ is examined based on the results of our calculations.
View original: http://arxiv.org/abs/1207.5563

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