当前位置: X-MOL 学术J. Solid State Chem. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Crystal Structure and Elementary Properties of PbS2 with a Pressure- Stabilized S-S Dimer
Journal of Solid State Chemistry ( IF 3.3 ) Pub Date : 2018-10-16 , DOI: 10.1016/j.jssc.2018.10.023
Danrui Ni , Shu Guo , Kelly M. Powderly , Ruidan Zhong , Jingjing Lin , Tai Kong , F. Alex Cevallos , Robert J. Cava

PbS2 and Pb0.9Ag0.1S2 were prepared through the reaction of PbS with excess sulfur (and silver) at 4 GPa and 600 °C. PbS2 crystallizes in the CuAl2 structure type, (I4/mcm (#140), a = 6.1106(5) Å, c = 7.4949(6) Å, Z = 4), determined by single crystal X-ray diffraction. Its structure consists of layers of [S2]2- dimers and Pb2+ in square antiprismatic coordination - a rare structure type for metal dichalcogenides. Electronic structure calculations suggest that the material should be an indirect band gap semiconductor. Consistent with the calculations, the temperature-dependent resistivity of undoped PbS2 is that of a degenerate semiconductor, while the Ag-doped material shows metallic temperature dependent resistivity down to 2 K. The materials are both diamagnetic. For the Ag-doped material, the Seebeck coefficient is small and shows nearly linear temperature-dependent behavior from 50 to 250 K.



中文翻译:

压力稳定的SS二聚体的PbS 2的晶体结构和基本性质

通过在4 GPa和600 °C下PbS与过量的硫(和银)反应制备PbS 2和Pb 0.9 Ag 0.1 S 2。通过单晶X射线衍射测定,PbS 2结晶为CuAl 2结构类型(I 4 / mcm(#140),a = 6.1106(5)Å,c = 7.4949(6)Å,Z = 4)。其结构由[S 2 ] 2-二聚体和Pb 2+层组成  在方形反棱柱形配位中-一种金属二卤化物的罕见结构类型。电子结构计算表明该材料应为间接带隙半导体。与计算一致的是,未掺杂的PbS 2的温度相关电阻率是退化的半导体的电阻率,而掺Ag的材料显示出低至2  K的金属温度相关电阻率。这两种材料都是抗磁性的。对于掺Ag的材料,塞贝克系数很小,并且在50至250  K范围内表现出几乎线性的温度相关行为。

更新日期:2018-10-16
down
wechat
bug