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Magnetization and spin dynamics of the spin S=12 hourglass nanomagnet Cu5(OH)2(NIPA)4·10H2O

R. Nath, A. A. Tsirlin, P. Khuntia, O. Janson, T. Förster, M. Padmanabhan, J. Li, Yu. Skourski, M. Baenitz, H. Rosner, and I. Rousochatzakis
Phys. Rev. B 87, 214417 – Published 14 June 2013
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Abstract

We report a combined experimental and theoretical study of the spin S=12 nanomagnet Cu5(OH)2(NIPA)4·10H2O (Cu5-NIPA). Using thermodynamic, electron spin resonance, and 1H nuclear magnetic resonance measurements on one hand, and ab initio density-functional band-structure calculations, exact diagonalizations, and a strong-coupling theory on the other, we derive a microscopic magnetic model of Cu5-NIPA and characterize the spin dynamics of this system. The elementary fivefold Cu2+ unit features an hourglass structure of two corner-sharing scalene triangles related by inversion symmetry. Our microscopic Heisenberg model comprises one ferromagnetic and two antiferromagnetic exchange couplings in each triangle, stabilizing a single spin S=12 doublet ground state (GS), with an exactly vanishing zero-field splitting (by Kramers' theorem), and a very large excitation gap of Δ68 K. Thus, Cu5-NIPA is a good candidate for achieving long electronic spin relaxation (T1) and coherence (T2) times at low temperatures, in analogy to other nanomagnets with low-spin GS's. Of particular interest is the strongly inhomogeneous distribution of the GS magnetic moment over the five Cu2+ spins. This is a purely quantum-mechanical effect since, despite the nonfrustrated nature of the magnetic couplings, the GS is far from the classical collinear ferrimagnetic configuration. Finally, Cu5-NIPA is a rare example of a S=12 nanomagnet showing an enhancement in the nuclear spin-lattice relaxation rate 1/T1 at intermediate temperatures.

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  • Received 8 April 2013

DOI:https://doi.org/10.1103/PhysRevB.87.214417

©2013 American Physical Society

Authors & Affiliations

R. Nath1, A. A. Tsirlin2,3,*, P. Khuntia2, O. Janson2,3, T. Förster2,4, M. Padmanabhan5, J. Li6, Yu. Skourski4, M. Baenitz2, H. Rosner2, and I. Rousochatzakis7,†

  • 1School of Physics, Indian Institute of Science Education and Research, Thiruvananthapuram 695016, India
  • 2Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany
  • 3National Institute of Chemical Physics and Biophysics, 12618 Tallinn, Estonia
  • 4Dresden High Magnetic Field Laboratory, Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden, Germany
  • 5School of Chemistry, Indian Institute of Science Education and Research, Thiruvananthapuram 695016, India
  • 6Department of Chemistry & Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA
  • 7Institute for Theoretical Solid State Physics, IFW Dresden, 01171 Dresden, Germany

  • *altsirlin@gmail.com
  • i.rousochatzakis@ifw-dresden.de

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Issue

Vol. 87, Iss. 21 — 1 June 2013

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