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000862511 0247_ $$2doi$$a10.1103/PhysRevB.99.144420
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000862511 1001_ $$0P:(DE-HGF)0$$aXu, J.$$b0$$eCorresponding author
000862511 245__ $$aAnisotropic exchange Hamiltonian, magnetic phase diagram, and domain inversion of Nd2Zr2O7
000862511 260__ $$aWoodbury, NY$$bInst.$$c2019
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000862511 520__ $$aWe present thermodynamic and neutron-scattering measurements on the quantum spin ice candidate Nd2Zr2O7. The parametrization of the anisotropic exchange Hamiltonian is refined based on high-energy-resolution inelastic neutron-scattering data together with thermodynamic data using linear spin-wave theory and numerical linked-cluster expansion. Magnetic phase diagrams are calculated using classical Monte Carlo simulations with fields along [100], [110], and [111] crystallographic directions which agree qualitatively with the experiment. Large hysteresis and irreversibility for [111] is reproduced and the microscopic mechanism is revealed by mean-field calculations to be the existence of metastable states and domain inversion. Our results shed light on the explanations of the recently observed dynamical kagome ice in Nd2Zr2O7 in [111] fields.
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000862511 7001_ $$0P:(DE-HGF)0$$aBenton, Owen$$b1
000862511 7001_ $$0P:(DE-HGF)0$$aAnand, V. K.$$b2
000862511 7001_ $$0P:(DE-HGF)0$$aIslam, A. T. M. N.$$b3
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