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Title: Pu 239 nuclear magnetic resonance in the candidate topological insulator PuB 4

Abstract

We present a detailed nuclear magnetic resonance (NMR) study of 239Pu 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 239Pu NMR signal, and provides unique on-site sensitivity to the rich f -electron physics and insight into the bulk gaplike behavior in PuB4. The 239Pu NMR spectra are consistent with axial symmetry of the shift tensor showing for the first time that 239Pu NMR can be observed in an anisotropic environment and up to room temperature. The temperature dependence of the 239Pu 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 T−11 –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 239Pu 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.

Authors:
; ; ; ; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Actinide Science & Technology (CAST); Florida State Univ., Tallahassee, FL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1566685
DOE Contract Number:  
SC0016568
Resource Type:
Journal Article
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 99; Journal Issue: 3; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
nuclear, defects, mechanical behavior, corrosion, charge transport, superconductivity, magnetism and spin physics, separations, geophysics/geochemistry, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (predictive), synthesis (scalable processing)

Citation Formats

Dioguardi, A. P., Yasuoka, H., Thomas, S. M., Sakai, H., Cary, S. K., Kozimor, S. A., Albrecht-Schmitt, T. E., Choi, H. C., Zhu, J. -X., Thompson, J. D., Bauer, E. D., and Ronning, F. Pu239 nuclear magnetic resonance in the candidate topological insulator PuB4. United States: N. p., 2019. Web. doi:10.1103/physrevb.99.035104.
Dioguardi, A. P., Yasuoka, H., Thomas, S. M., Sakai, H., Cary, S. K., Kozimor, S. A., Albrecht-Schmitt, T. E., Choi, H. C., Zhu, J. -X., Thompson, J. D., Bauer, E. D., & Ronning, F. Pu239 nuclear magnetic resonance in the candidate topological insulator PuB4. United States. doi:10.1103/physrevb.99.035104.
Dioguardi, A. P., Yasuoka, H., Thomas, S. M., Sakai, H., Cary, S. K., Kozimor, S. A., Albrecht-Schmitt, T. E., Choi, H. C., Zhu, J. -X., Thompson, J. D., Bauer, E. D., and Ronning, F. Tue . "Pu239 nuclear magnetic resonance in the candidate topological insulator PuB4". United States. doi:10.1103/physrevb.99.035104.
@article{osti_1566685,
title = {Pu239 nuclear magnetic resonance in the candidate topological insulator PuB4},
author = {Dioguardi, A. P. and Yasuoka, H. and Thomas, S. M. and Sakai, H. 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 Ronning, F.},
abstractNote = {We present a detailed nuclear magnetic resonance (NMR) study of 239Pu 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 239Pu NMR signal, and provides unique on-site sensitivity to the rich f -electron physics and insight into the bulk gaplike behavior in PuB4. The 239Pu NMR spectra are consistent with axial symmetry of the shift tensor showing for the first time that 239Pu NMR can be observed in an anisotropic environment and up to room temperature. The temperature dependence of the 239Pu 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 T−11 –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 239Pu 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.},
doi = {10.1103/physrevb.99.035104},
journal = {Physical Review B},
issn = {2469-9950},
number = 3,
volume = 99,
place = {United States},
year = {2019},
month = {1}
}

Works referenced in this record:

Colloquium: Topological insulators
journal, November 2010


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865