Zhang Xian, Yi Na, Hoffmann Roald, Zheng Chong, Lin Jianhua, Huang Fuqiang
Beijing National Laboratory for Molecular Sciences and State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University , Beijing 100871, P. R. China.
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences , Shanghai 200050, P. R. China.
Inorg Chem. 2016 Oct 3;55(19):9742-9747. doi: 10.1021/acs.inorgchem.6b01529. Epub 2016 Sep 15.
We synthesized two one-dimensional compounds KMSbS(SH) (M = Zn, Cd) at 473 K, using thiourea as reactive flux. The compounds crystallize in the triclinic space group P1̅. Their structures feature one-dimensional [MSbS(SH)] double chains along the crystallographic a axis. The [MSbS(SH)] double chains are composed of [MSbS(SH)] eight-membered rings. Similar band gaps of the two compounds, E = 2.75 eV for KZnSbS(SH) and E = 2.71 eV for KCdSbS(SH), were obtained from optical absorption measurements, which are consistent with theoretical calculations. The analysis of density of states indicates that the valence band maximum and conduction band minimum consist mainly of S-3p orbitals and Sb-5p orbitals, respectively.
