Origins of anisotropic transport in electrically-switchable antiferromagnet
arXiv:2104.07591 · doi:10.1103/PhysRevB.103.214439
Abstract
Recent experiments on the antiferromagnetic intercalated transition metal dichalcogenide have demonstrated reversible resistivity switching by application of orthogonal current pulses below its magnetic ordering temperature, making promising for spintronics applications. Here, we perform density functional theory calculations with Hubbard U corrections of the magnetic order, electronic structure, and transport properties of crystalline , clarifying the origin of the different resistance states. The two experimentally proposed antiferromagnetic ground states, corresponding to in-plane stripe and zigzag ordering, are computed to be nearly degenerate. In-plane cross sections of the calculated Fermi surfaces are anisotropic for both magnetic orderings, with the degree of anisotropy sensitive to the Hubbard U value. The in-plane resistance, computed within the Kubo linear response formalism using a constant relaxation time approximation, is also anisotropic, supporting a hypothesis that the current-induced resistance changes are due to a repopulating of AFM domains. Our calculations indicate that the transport anisotropy of in the zigzag phase is reduced relative to stripe, consistent with the relative magnitudes of resistivity changes in experiment. Finally, our calculations reveal the likely directionality of the current-domain response, specifically, which domains are energetically stabilized for a given current direction.
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