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Title: Magnetic structure and crystal-field states of the pyrochlore antiferromagnet Nd2Zr2O7

In this paper, we present synchrotron x-ray diffraction, neutron powder diffraction, and time-of-flight inelastic neutron scattering measurements on the rare earth pyrochlore oxide Nd2Zr2O7 to study the ordered state magnetic structure and cystal-field states. The structural characterization by high-resolution synchrotron x-ray diffraction confirms that the pyrochlore structure has no detectable O vacancies or Nd/Zr site mixing. The neutron diffraction reveals long-range all-in/all-out antiferromagnetic order below TN≈0.4 K with propagation vector k = (0 0 0) and an ordered moment of 1.26(2) μB/Nd at 0.1 K. The ordered moment is much smaller than the estimated moment of 2.65μB/Nd for the local <111> Ising ground state of Nd3+ (J=9/2) suggesting that the ordering is partially suppressed by quantum fluctuations. The inelastic neutron scattering experiment further confirms the Ising anisotropic ground state of Nd3+ and also reveals its dipolar-octupolar character which possibly induces the quantum fluctuation. Lastly, the crystal-field level scheme and ground state wave function have been determined.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [4] ;  [2] ;  [1]
  1. Helmholtz-Zentrum Berlin for Materials and Energy GmbH, Berlin (Germany); Technische Univ. Berlin (Germany)
  2. Helmholtz-Zentrum Berlin for Materials and Energy GmbH, Berlin (Germany)
  3. Helmholtz-Zentrum Berlin for Materials and Energy GmbH, Berlin (Germany); Bhabha Atomic Research Centre (BARC), Mumbai (India)
  4. Paul Scherrer Inst. (PSI), Villigen (Switzerland)
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
OSTI Identifier:
1311258
Grant/Contract Number:
AC05-00OR22725; VHVI-521
Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 92; Journal Issue: 22; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Research Org:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Helmholtz Virtual Institute
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS