title: Synthesis, characterization, and mechanism analysis of S = 2 quasi-one-dimensional ferromagnetic semiconductor Pb2Mn(VO4)2(OH).
abstract: 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).
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China. xianghp@fjirsm.ac.cn hcz1988@hotmail.com hezz@fjirsm.ac.cn.
authors.forename: Suyun
authors.initials: S
authors.lastname: Zhang
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China. xianghp@fjirsm.ac.cn hcz1988@hotmail.com hezz@fjirsm.ac.cn.
authors.forename: Hongping
authors.initials: H
authors.lastname: Xiang
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China. xianghp@fjirsm.ac.cn hcz1988@hotmail.com hezz@fjirsm.ac.cn.
authors.forename: Wenbin
authors.initials: W
authors.lastname: Guo
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China. xianghp@fjirsm.ac.cn hcz1988@hotmail.com hezz@fjirsm.ac.cn and University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
authors.forename: Yingying
authors.initials: Y
authors.lastname: Tang
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China. xianghp@fjirsm.ac.cn hcz1988@hotmail.com hezz@fjirsm.ac.cn and University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
authors.forename: Meiyan
authors.initials: M
authors.lastname: Cui
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China. xianghp@fjirsm.ac.cn hcz1988@hotmail.com hezz@fjirsm.ac.cn.
authors.forename: Zhangzhen
authors.initials: Z
authors.lastname: He