Effects of Iron Doping on the Physical Properties of Quaternary Ferromagnetic Sulfide: Ba2Fe0.6V1.4S6

Kejun Bu; Jianqiao He; Xiaofang Lai; Changsheng Song; Dong Wang; JiJian Xu; Sishun Wang; Fuqiang Huang

doi:10.1021/acs.inorgchem.7b00960

Effects of Iron Doping on the Physical Properties of Quaternary Ferromagnetic Sulfide: Ba₂Fe_0.6V_1.4S₆

Inorg Chem. 2017 Jul 17;56(14):8302-8310. doi: 10.1021/acs.inorgchem.7b00960. Epub 2017 Jul 5.

Authors

Kejun Bu¹, Jianqiao He¹, Xiaofang Lai², Changsheng Song¹, Dong Wang¹, JiJian Xu¹, Sishun Wang¹, Fuqiang Huang^{1

3}

Affiliations

¹ State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences , Shanghai 200050, P. R. China.
² School of Physics and Optoelectronic Engineering, Guangdong University of Technology , Guangzhou 510006, P. R. China.
³ State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University , Beijing 100871, P. R. China.

PMID: 28678516
DOI: 10.1021/acs.inorgchem.7b00960

Abstract

The mixed-metal sulfide compound with the formula Ba₂Fe_0.6V_1.4S₆ was successfully synthesized via solid-state reaction. Ba₂Fe_0.6V_1.4S₆ has a quasi-one-dimensional structure and crystallizes in the hexagonal space group P6₃/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.