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Effects of Iron Doping on the Physical Properties of Quaternary Ferromagnetic Sulfide: Ba2Fe0.6V1.4S6
Bu, Kejun ; He, Jianqiao ; Lai, Xiafang ; Song, Changsheng ; Wang, Dong ; Xu, JiJian ; Wang, Sishun ; Huang, Fuqiang
刊名INORGANIC CHEMISTRY
2017
关键词TRANSITION-METAL CHALCOGENIDES TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET THERMOELECTRIC-MATERIALS CRYSTAL-STRUCTURES VANADIUM SULFIDES BAVS3 SUPERCONDUCTIVITY OXIDATION SPIN
DOI10.1021/acs.inorgchem.7b00960
英文摘要The mixed-metal sulfide compound with the formula Ba2Fe0.6V1.4S6 was successfully synthesized via solid-state reaction. Ba2Fe0.6V1.4S6 has a quasi-one-dimensional structure and crystallizes in the hexagonal space group P6(3)/mmc. The structure is composed of face-sharing anion octahedron [MS6](8-) (M = V or Fe) units to construct infinite chains along the c axis, in which the Fe atoms randomly occupy the V sites. The Ba2+ ions reside between adjacent chains. Magnetic susceptibility measurements reveal a transition between paramagnetism and ferromagnetism around 25 K. The small polaron hopping (SPH) conduction behavior has been observed in the higher temperature region (75-300 K), while in the lower temperature region (25-74 K), the resistivity features a variable range hopping mechanism (VRH). The analysis of density of states indicates that Fe-3d(z2) and S-3p states mainly dominate the valence band maximum, while Fe-3d(z2) states contribute significantly to the magnetic susceptibility.; "Strategic Priority Research Program (B)" of the Chinese Academy of Sciences [XDB04040200]; CAS Center for Excellence in Superconducting Electronics; National Key Research and Development Program [2016YFB0901600]; NSF of China [11404358, 51402341]; Science and Technology Commission of Shanghai [13JC1405700, 14520722000]; SCI(E); ARTICLE; 14; 8302-8310; 56
语种英语
内容类型期刊论文
源URL[http://ir.pku.edu.cn/handle/20.500.11897/472109]  
专题化学与分子工程学院
推荐引用方式
GB/T 7714
Bu, Kejun,He, Jianqiao,Lai, Xiafang,et al. Effects of Iron Doping on the Physical Properties of Quaternary Ferromagnetic Sulfide: Ba2Fe0.6V1.4S6[J]. INORGANIC CHEMISTRY,2017.
APA Bu, Kejun.,He, Jianqiao.,Lai, Xiafang.,Song, Changsheng.,Wang, Dong.,...&Huang, Fuqiang.(2017).Effects of Iron Doping on the Physical Properties of Quaternary Ferromagnetic Sulfide: Ba2Fe0.6V1.4S6.INORGANIC CHEMISTRY.
MLA Bu, Kejun,et al."Effects of Iron Doping on the Physical Properties of Quaternary Ferromagnetic Sulfide: Ba2Fe0.6V1.4S6".INORGANIC CHEMISTRY (2017).
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