PuPt2In7: a computational and experimental investigation

H. B. Rhee; F. Ronning; J. -X. Zhu; E. D. Bauer; J. N. Mitchell; P. H. Tobash; B. L. Scott; J. D. Thompson; Yu Jiang; C. H. Booth; W. E. Pickett

doi:10.1103/physrevb.86.115137

arXiv · 1207.5563

PuPt2In7: a computational and experimental investigation

H. B. Rhee·F. Ronning·J. -X. Zhu·E. D. Bauer·J. N. Mitchell·P. H. Tobash·B. L. Scott·J. D. Thompson·Yu Jiang·C. H. Booth·W. E. Pickett

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Abstract

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 the 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.

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H. B. Rhee, F. Ronning, J. -X. Zhu, E. D. Bauer, J. N. Mitchell, P. H. Tobash, B. L. Scott, J. D. Thompson, Yu Jiang, C. H. Booth, W. E. Pickett. 2012-07-23. PuPt2In7: a computational and experimental investigation. https://doi.org/10.1103/physrevb.86.115137

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