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Ferromagnetic van der Waals Crystal VI .

J Am Chem Soc; 141(13): 5326-5333, 2019 Apr 03.
Artigo em Inglês | MEDLINE | ID: mdl-30856325
We report structural properties, physical properties, and the electronic structure of van der Waals (vdW) crystal VI . Detailed analysis reveals that VI exhibits a structural transition from monoclinic C2/ m to rhombohedral R3̅ at T ≈ 79 K, similar to CrX (X = Cl, Br, I). Below T , a long-range ferromagnetic (FM) transition emerges at T ≈ 50 K. The local moment of V in VI is close to the high-spin state V ion ( S = 1). Theoretical calculations suggest that VI may be a Mott insulator with a band gap of about 0.90 eV. In addition, VI has a relatively small interlayer binding energy and can be exfoliated easily down to a few layers experimentally. Therefore, VI is a candidate for two-dimensional FM semiconductors. It also provides a novel platform to explore 2D magnetism and vdW heterostructures in S = 1 system.