¦ van der Waals gap Septuple layer J § J || T 1/2 J 0,1 || J 0,2 || J 0,3 || J 0,4 ||

Crystal growth of MnBi 2 Te 4 has delivered the first experimental corroboration of the 3D antiferromagnetic topological insulator state. Our present results confirm that the synthesis of MnBi 2 Te 4 can be scaled-up and strengthen it as a promising experimental platform for studies of a crossover between magnetic ordering and non-trivial topology. High-quality single crystals of MnBi 2 Te 4 are grown by slow cooling within a narrow range between the melting points of Bi 2 Te 3 (586 °C) and MnBi 2 Te 4 (600 °C). Single crystal X-ray diffraction and electron microscopy reveal ubiquitous antisite defects in both cation sites and, possibly, Mn vacancies. Powders of MnBi 2 Te 4 can be obtained at subsolidus temperatures, and a complementary thermochemical study establishes a limited high-temperature range of phase stability. Nevertheless, quenched powders are stable at room temperature and exhibit long-range antiferromagnetic ordering below 24 K. The expected Mn(II) out-of-plane magnetic state is confirmed by the magnetization, X-ray photoemission, X-ray absorption and linear dichroism data. MnBi 2 Te 4 exhibits a metallic type of resistivity in the range 4.5-300 K. The compound is an n-type conductor that reaches a thermoelectric figure of merit up to ZT = 0.17. Angle-resolved photoemission experiments provide evidence for a surface state forming a gapped Dirac cone.

Materials with a 5d 4 electronic configuration are generally considered to have a nonmagnetic ground state (J = 0). Interestingly, Sr2YIrO6 (Ir 5+ having 5d 4 electronic configuration) was recently reported to exhibit long-range magnetic order at low temperature and the distorted IrO6 octahedra were discussed to cause the magnetism in this material. Hence, a comparison of structurally distorted Sr2YIrO6 with cubic Ba2YIrO6 may shed light on the source of magnetism in such Ir 5+ materials with 5d 4 configuration. Besides, Ir 5+ materials having 5d 4 are also interesting in the context of recently predicted excitonic types of magnetism. Here we report a single-crystal-based analysis of the structural, magnetic, and thermodynamic properties of Ba2YIrO6. We observe that in Ba2YIrO6 for temperatures down to 0.4 K, long-range magnetic order is absent but at the same time correlated magnetic moments are present. We show that these moments are absent in fully relativistic ab initio band-structure calculations; hence, their origin is presently unclear.

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