Anisotropic exchange Hamiltonian, magnetic phase diagram, and domain inversion of ${\mathrm{Nd}}_{2}{\mathrm{Zr}}_{2}{\mathrm{O}}_{7}$

Anisotropic exchange Hamiltonian, magnetic phase diagram, and domain inversion of ${Nd}_{2} {Zr}_{2} O_{7}$

J. Xu, Owen Benton, V. K. Anand, A. T. M. N. Islam, T. Guidi, G. Ehlers, E. Feng, Y. Su, A. Sakai, P. Gegenwart, and B. Lake

Phys. Rev. B 99, 144420 – Published 23 April 2019

Abstract

We present thermodynamic and neutron-scattering measurements on the quantum spin ice candidate ${Nd}_{2} {Zr}_{2} O_{7}$ . The parametrization of the anisotropic exchange Hamiltonian is refined based on high-energy-resolution inelastic neutron-scattering data together with thermodynamic data using linear spin-wave theory and numerical linked-cluster expansion. Magnetic phase diagrams are calculated using classical Monte Carlo simulations with fields along [100], [110], and [111] crystallographic directions which agree qualitatively with the experiment. Large hysteresis and irreversibility for [111] is reproduced and the microscopic mechanism is revealed by mean-field calculations to be the existence of metastable states and domain inversion. Our results shed light on the explanations of the recently observed dynamical kagome ice in ${Nd}_{2} {Zr}_{2} O_{7}$ in [111] fields.

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Received 19 February 2019
Revised 5 April 2019

DOI:https://doi.org/10.1103/PhysRevB.99.144420

Physics Subject Headings (PhySH)

Frustrated magnetism Magnetic interactions Spin ice

Inorganic compounds Single crystal materials

Cluster methods Crystal growth Holstein-Primakoff method Magnetization measurements Metropolis algorithm Specific heat measurements Time-of-flight neutron spectroscopy X-ray powder diffraction

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

J. Xu^1,2,*, Owen Benton^3,†, V. K. Anand^1,‡, A. T. M. N. Islam¹, T. Guidi⁴, G. Ehlers⁵, E. Feng⁶, Y. Su⁶, A. Sakai⁷, P. Gegenwart⁷, and B. Lake^1,2,§

¹Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, D-14109 Berlin, Germany
²Institut für Festkörperphysik, Technische Universität Berlin, Hardenbergstraße 36, D-10623 Berlin, Germany
³RIKEN Center for Emergent Matter Science (CEMS), Wako, Saitama, 351-0198, Japan
⁴ISIS facility, Rutherford Appleton Laboratory, Didcot, OX11 0QX, United Kingdom
⁵Oak Ridge National Laboratory, Oak Ridge, P.O. Box 2008, Tennessee 37831, USA
⁶Jülich Centre for Neutron Science JCNS, Forschungszentrum Jülich, Outstation at MLZ, Lichtenbergstr. 1, D-85747 Garching, Germany
⁷Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany

^*jianhui.xu@helmholtz-berlin.de
^†john.benton@riken.jp
^‡Present address: École Polytechnique Fédérale de Lausanne (EPFL), CH-1015, Lausanne, Switzerland.
^§bella.lake@helmholtz-berlin.de

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Vol. 99, Iss. 14 — 1 April 2019

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Physical Review B

covering condensed matter and materials physics

Anisotropic exchange Hamiltonian, magnetic phase diagram, and domain inversion of ${Nd}_{2} {Zr}_{2} O_{7}$

J. Xu, Owen Benton, V. K. Anand, A. T. M. N. Islam, T. Guidi, G. Ehlers, E. Feng, Y. Su, A. Sakai, P. Gegenwart, and B. Lake

Phys. Rev. B 99, 144420 – Published 23 April 2019

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Physical Review B

covering condensed matter and materials physics

Anisotropic exchange Hamiltonian, magnetic phase diagram, and domain inversion of Nd2Zr2O7

J. Xu, Owen Benton, V. K. Anand, A. T. M. N. Islam, T. Guidi, G. Ehlers, E. Feng, Y. Su, A. Sakai, P. Gegenwart, and B. Lake

Phys. Rev. B 99, 144420 – Published 23 April 2019

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Anisotropic exchange Hamiltonian, magnetic phase diagram, and domain inversion of ${Nd}_{2} {Zr}_{2} O_{7}$