论文标题
关于SBTEI的结构
On the structure of SbTeI
论文作者
论文摘要
在理论模拟的许多技术应用中，预测锑telloiodide（SBTEI）被认为是一种有前途的材料，但是批量结构解决方案仍然难以捉摸。我们通过组合单晶X射线衍射和X射线光发射光谱技术来合并属于基础单斜晶格的SBTEI与空间c 2/m的SBTEI。报告的晶体结构的原子布置非常明显，形成二维块的一维双链。在这种结构中，SB $^{3+} $ ion被TE $^{2-} $和I $^ - $包围，这是由不完整的多面体所区分的，导致价值5S $^2 $（SB）单对孤对电子。高度期望对这种材料操纵这种材料，以诱导新的结构和性质。
Antimony telluroiodide (SbTeI) is predicted to be a promising material in many technological applications based on theoretical simulations, however the bulk structure solution remains elusive. We consolidate SbTeI belonging to the base-centered monoclinic lattice with a space group C 2/m by combining single crystal X-ray diffraction and X-ray photoemission spectroscopy techniques. The atomic arrangement of the reported crystal structure is remarkable with one-dimensional double-chains forming two-dimensional blocks. In this structure, the Sb$^{3+}$ ion is surrounded by Te$^{2-}$ and I$^-$, which is distinguishable by an incomplete polyhedron resulting in the 5s$^2$ (Sb) lone pair electrons in the valence band. Manipulation of this material with pressure to induce novel structures and properties is highly anticipated.
