Pu 239 nuclear magnetic resonance in the candidate topological insulator PuB4

A. P. Dioguardi; H. Yasuoka; S. M. Thomas; H. Sakai; S. K. Cary; S. A. Kozimor; T. E. Albrecht-Schmitt; H. C. Choi; J. X. Zhu; J. D. Thompson; E. D. Bauer; F. Ronning

doi:10.1103/PhysRevB.99.035104

Pu 239 nuclear magnetic resonance in the candidate topological insulator PuB4

A. P. Dioguardi, H. Yasuoka, S. M. Thomas, H. Sakai, S. K. Cary, S. A. Kozimor, T. E. Albrecht-Schmitt, H. C. Choi, J. X. Zhu, J. D. Thompson, E. D. Bauer, F. Ronning

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Abstract

We present a detailed nuclear magnetic resonance (NMR) study of Pu239 in bulk and powdered single-crystal plutonium tetraboride (PuB4), which has recently been investigated as a potential correlated topological insulator. This study constitutes the second-ever observation of the Pu239 NMR signal, and provides unique on-site sensitivity to the rich f-electron physics and insight into the bulk gaplike behavior in PuB4. The Pu239 NMR spectra are consistent with axial symmetry of the shift tensor showing for the first time that Pu239 NMR can be observed in an anisotropic environment and up to room temperature. The temperature dependence of the Pu239 shift, combined with a relatively long spin-lattice relaxation time (T1), indicate that PuB4 adopts a nonmagnetic state with gaplike behavior consistent with our density functional theory calculations. The temperature dependencies of the NMR Knight shift and T1-1-microscopic quantities sensitive only to bulk states-imply bulk gaplike behavior confirming that PuB4 is a good candidate topological insulator. The large contrast between the Pu239 orbital shifts in the ionic insulator PuO2 (∼+24.7%) and PuB4 (∼-0.5%) provides a new tool to investigate the nature of chemical bonding in plutonium materials.

Original language	English
Article number	035104
Journal	Physical Review B
Volume	99
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevB.99.035104
State	Published - Jan 2 2019
Externally published	Yes

Funding

The authors would like to thank D. L. Clark, Z. Fisk, P. F. S. Rosa, A. M. Mounce, S. Seo, R. Movshovich, M. Janoschek, D.-Y. Kim, D. Fobes, N. Sung, N. Leon-Brito, M. W. Malone, H.-J. Grafe, M. Požek, D. Kasinathan, and P. Coleman for stimulating discussions. Work at Los Alamos National Laboratory was performed with the support of the Los Alamos LDRD program. T.E.A.-S. was supported as part of the Center for Actinide Science and Technology (CAST), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award No. DE-SC0016568. H.S. was also partly supported by JSPS KAKENHI Grant No. JP16KK0106. A.P.D. acknowledges the support of a Director's Postdoctoral Fellowship through the Los Alamos LDRD program.

Funders	Funder number
Center for Actinide Science and Technology
Los Alamos LDRD
U.S. Department of Energy
Office of Science
Basic Energy Sciences	DE-SC0016568
Japan Society for the Promotion of Science	16KK0106

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10.1103/PhysRevB.99.035104

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title = "Pu 239 nuclear magnetic resonance in the candidate topological insulator PuB4",

abstract = "We present a detailed nuclear magnetic resonance (NMR) study of Pu239 in bulk and powdered single-crystal plutonium tetraboride (PuB4), which has recently been investigated as a potential correlated topological insulator. This study constitutes the second-ever observation of the Pu239 NMR signal, and provides unique on-site sensitivity to the rich f-electron physics and insight into the bulk gaplike behavior in PuB4. The Pu239 NMR spectra are consistent with axial symmetry of the shift tensor showing for the first time that Pu239 NMR can be observed in an anisotropic environment and up to room temperature. The temperature dependence of the Pu239 shift, combined with a relatively long spin-lattice relaxation time (T1), indicate that PuB4 adopts a nonmagnetic state with gaplike behavior consistent with our density functional theory calculations. The temperature dependencies of the NMR Knight shift and T1-1-microscopic quantities sensitive only to bulk states-imply bulk gaplike behavior confirming that PuB4 is a good candidate topological insulator. The large contrast between the Pu239 orbital shifts in the ionic insulator PuO2 (∼+24.7%) and PuB4 (∼-0.5%) provides a new tool to investigate the nature of chemical bonding in plutonium materials.",

author = "Dioguardi, {A. P.} and H. Yasuoka and Thomas, {S. M.} and H. Sakai and Cary, {S. K.} and Kozimor, {S. A.} and Albrecht-Schmitt, {T. E.} and Choi, {H. C.} and Zhu, {J. X.} and Thompson, {J. D.} and Bauer, {E. D.} and F. Ronning",

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AU - Yasuoka, H.

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AU - Cary, S. K.

AU - Kozimor, S. A.

AU - Albrecht-Schmitt, T. E.

AU - Choi, H. C.

AU - Zhu, J. X.

AU - Thompson, J. D.

AU - Bauer, E. D.

AU - Ronning, F.

PY - 2019/1/2

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N2 - We present a detailed nuclear magnetic resonance (NMR) study of Pu239 in bulk and powdered single-crystal plutonium tetraboride (PuB4), which has recently been investigated as a potential correlated topological insulator. This study constitutes the second-ever observation of the Pu239 NMR signal, and provides unique on-site sensitivity to the rich f-electron physics and insight into the bulk gaplike behavior in PuB4. The Pu239 NMR spectra are consistent with axial symmetry of the shift tensor showing for the first time that Pu239 NMR can be observed in an anisotropic environment and up to room temperature. The temperature dependence of the Pu239 shift, combined with a relatively long spin-lattice relaxation time (T1), indicate that PuB4 adopts a nonmagnetic state with gaplike behavior consistent with our density functional theory calculations. The temperature dependencies of the NMR Knight shift and T1-1-microscopic quantities sensitive only to bulk states-imply bulk gaplike behavior confirming that PuB4 is a good candidate topological insulator. The large contrast between the Pu239 orbital shifts in the ionic insulator PuO2 (∼+24.7%) and PuB4 (∼-0.5%) provides a new tool to investigate the nature of chemical bonding in plutonium materials.

AB - We present a detailed nuclear magnetic resonance (NMR) study of Pu239 in bulk and powdered single-crystal plutonium tetraboride (PuB4), which has recently been investigated as a potential correlated topological insulator. This study constitutes the second-ever observation of the Pu239 NMR signal, and provides unique on-site sensitivity to the rich f-electron physics and insight into the bulk gaplike behavior in PuB4. The Pu239 NMR spectra are consistent with axial symmetry of the shift tensor showing for the first time that Pu239 NMR can be observed in an anisotropic environment and up to room temperature. The temperature dependence of the Pu239 shift, combined with a relatively long spin-lattice relaxation time (T1), indicate that PuB4 adopts a nonmagnetic state with gaplike behavior consistent with our density functional theory calculations. The temperature dependencies of the NMR Knight shift and T1-1-microscopic quantities sensitive only to bulk states-imply bulk gaplike behavior confirming that PuB4 is a good candidate topological insulator. The large contrast between the Pu239 orbital shifts in the ionic insulator PuO2 (∼+24.7%) and PuB4 (∼-0.5%) provides a new tool to investigate the nature of chemical bonding in plutonium materials.

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Pu 239 nuclear magnetic resonance in the candidate topological insulator PuB4

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