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Two-dimensional (2D) chromium tellurides have attracted considerable researchinterest for their high Curie temperatures. Their magnetic properties have beenfound diverse in various experiments, the understanding of which howeverremains limited. In this work, we report that the magnetic ordering ofultrathin chromium tellurides is structure dependent and can be tuned byexternal strain. Based on first-principles calculations and Monte Carlosimulations, we show long-range stable magnetism with high and low Curietemperature, and short-range magnetism in 2D Cr5Te8, CrTe2, and Cr2Te3 layers,respectively. We further find that ferromagnetic-to-antiferromagnetictransition can be realized by 2% compressive strain for CrTe2 and 2% tensilestrain for Cr2Te3, and their magnetic easy axis is tuned from out-of-plane toin-plane by the medium tensile and compressive strain. This strain dependentmagnetic coupling is found to be related to Cr-Cr direct exchange and thechange of magnetic anisotropy is understood by the atom and orbital resolvedmagnetic anisotropy energy and second order perturbation theory. Our resultsreveal the important roles of the structure and strain in determining themagnetic ordering in 2D chromium telluride, shedding light on understanding ofthe diverse magnetic properties observed in experiments.

Structure dependent and strain tunable magnetic ordering in ultrathin chromium telluride