Raman studies of the intermediate tin-oxide phase
Raman studies of the intermediate tin-oxide phase
复制标题
中间氧化锡相的拉曼研究
DOI：
10.1103/physrevmaterials.1.014602
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发表时间：
2017-06-26
影响因子：
3.4
通讯作者：
Klar, Peter J.
中科院分区：
文献类型：
--
作者：
Eifert, Bianca;Becker, Martin;Klar, Peter J.
氧化锡中间相的存在于 1882 年首次被报道。然而，尽管进行了大量的结构研究，但其化学计量和晶体结构自此以来一直令人怀疑并引起激烈争论。我们表明，在衍射研究尚无定论的情况下，拉曼光谱与从头理论相结合为结构测定提供了一种可行的替代方案。我们明确地将中间相确定为 Sn3O4，并排除了其他可能的候选物 Sn2O3。我们将Sn3O4的单声子拉曼信号分配给相应点群C-2h的模式对称性，并确认每个晶胞有14个原子的P2(1)/c是Sn3O4的空间群。
The existence of an intermediate phase of tin oxide was first reported in 1882. However, its stoichiometry and its crystal structure have been dubious and heavily debated ever since, despite a multitude of structural investigations. We show that Raman spectroscopy combined with ab initio theory offers a viable alternative for structure determination in cases where diffraction studies are inconclusive. We unambiguously identify the intermediate phase as Sn3O4 and rule out the other likely candidate, Sn2O3. We assign the one-phonon Raman signals of Sn3O4 to the mode symmetries of the corresponding point group C-2h and confirm that P2(1)/c with 14 atoms per unit cell is the space group of Sn3O4.