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Synthesis, characterization, and mechanism analysis of S = 2 quasi-one-dimensional ferromagnetic semiconductor Pb2Mn(VO4)2(OH).

A brackebuschite-type compound Pb2Mn(VO4)2(OH) was synthesized by a hydrothermal method. Single crystal X-ray diffraction reveals that Pb2Mn(VO4)2(OH) crystallizes in the space group P21/m, with the structure built of single [010] chains of edge-shared MnO6 octahedra bridged by VO4-PbO6 groups along a and c axes, as a result forming a very large inter-chain distance of about 7.67 Å. The magnetic and optical measurements indicate that Pb2Mn(VO4)2(OH) is an S = 2 quasi-one-dimensional ferromagnetic semiconductor, with a very small specific value of intra- and inter-chain exchange coupling Jintra/Jinter = 10(-3), and a band gap of 1.72 eV. The electronic structure calculations indicate that a 90° Mn-O-Mn dpσ-dpσ correlation superexchange dominates the intra-chain ferromagnetic coupling in Pb2Mn(VO4)2(OH).