Coupling of Li motion and structural distortions in olivine LiMnPO4 from 7Li and 31P NMR

Christian Rudisch, Hans-Joachim Grafe, Jochen Geck, Sven Partzsch, M. v. Zimmermann, Nadja Wizent, Rüdiger Klingeler, and Bernd Büchner
Phys. Rev. B 88, 054303 – Published 26 August 2013

Abstract

We present a detailed 7Li- and 31P-NMR study on single crystalline LiMnPO4 in the paramagnetic and antiferromagnetic phase (AFM, TN34 K). This allows us to determine the spin directions in the field-induced spin-flop phase. In addition, the anisotropic dipolar hyperfine coupling tensor of the 7Li and 31P nuclei is also fully determined by orientation and temperature-dependent NMR experiments and compared to the calculated values from crystal structure data. Deviations of the experimental values from the theoretical ones are discussed in terms of Mn disorder which is induced by Li disorder. In fact, the disorder in the Mn sublattice is directly revealed by diffuse x-ray scattering data. The present results provide experimental evidence for the Li diffusion strongly coupling to structural distortions within the MnPO4 host, which is expected to significantly affect the Li mobility as well as the performance of batteries based on this material.

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  • Received 23 April 2013

DOI:https://doi.org/10.1103/PhysRevB.88.054303

©2013 American Physical Society

Authors & Affiliations

Christian Rudisch1, Hans-Joachim Grafe1, Jochen Geck1, Sven Partzsch1, M. v. Zimmermann2, Nadja Wizent1,3, Rüdiger Klingeler3, and Bernd Büchner1

  • 1IFW Dresden, Leibniz Institute for Solid State and Materials Research, D-01171 Dresden, Germany
  • 2Deutsches Elektronen-Synchrotron DESY, D-22603 Hamburg, Germany
  • 3Kirchhoff-Institut für Physik,Universität Heidelberg, D-69120 Heidelberg, Germany

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Issue

Vol. 88, Iss. 5 — 1 August 2013

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