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    First-Principles Design of the Spinel Iridate Ir2O4 for High-Temperature Quantum Spin Ice

    Shigeki Onoda1,2 and Fumiyuki Ishii3

    • 1Condensed Matter Theory Laboratory, RIKEN, Wako 351-0198, Japan
    • 2Quantum Matter Theory Research Team, RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198, Japan
    • 3Faculty of Mathematics and Physics, Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192, Japan

    Phys. Rev. Lett. 122, 067201 – Published 12 February, 2019

    DOI: https://doi.org/10.1103/PhysRevLett.122.067201

    Abstract

    Insulating magnetic rare-earth pyrochlores related to spin ice host emergent bosonic monopolar spinons, which obey a magnetic analogue of quantum electrodynamics and may open a route to spinonics. However, the energy scales of the interactions among rare-earth moments are so low (∼ 1 K) that the possible quantum coherence can be achieved at a sub-Kelvin scale. Here, we design high-temperature quantum spin ice materials from first principles. It is shown that the A-site deintercalated spinel iridate Ir2O4, which has been experimentally grown as epitaxial thin films, is a promising candidate for quantum spin ice with a spin-ice-rule interaction of a few tens of meV. Controlling electronic structures of Ir2O4 through substrates, it is possible to tune magnetic interactions so that a magnetic Coulomb liquid persists at high temperatures.

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