SO4 in Cadmium Chalcogenides: CdSe versus CdTe
SO4 in Cadmium Chalcogenides: CdSe versus CdTe
复制标题
镉硫属化物中的 SO4：CdSe 与 CdTe
DOI：
10.1002/pssb.202200029
复制
发表时间：
2022
期刊：
影响因子：
--
通讯作者：
V. V. Melnikov
中科院分区：
文献类型：
--
作者：
F. Herklotz;E. V. Lavrov;V. V. Melnikov
结合红外（IR）吸收光谱和第一性原理理论，对CdSe中的硫氧复合物进行了研究，其特征在于位于1094、1107和1126 cm−1（10 K）的IR吸收线。该中心的性质与CdTe中出现的类似物质进行了比较，该物质在1097和1108 cm−1（10 K）处产生两条吸收线。对富含18 O的样品进行的温度和偏振敏感测量表明，对于这两种材料，IR吸收线都是由于扭曲的硫酸盐（）四面体的分裂伸缩振动造成的，从而复合物的局部点群被还原为和六方CdSe和立方CdTe中的分别。测量了硫酸盐分子在对称伸缩模（）、弯曲模（）和组合模（）的振动光谱。讨论了阳离子空位作为CdSe中可能被占据的位置。
A study combining infrared (IR) absorption spectroscopy and first‐principles theory is presented for a sulfur–oxygen complex in CdSe characterized by IR absorption lines located at 1094, 1107, and 1126 cm−1(10 K). The properties of the center are compared to a similar species occurring in CdTe that gives rise to two absorption lines at 1097 and 1108 cm−1(10 K). Temperature‐ and polarization‐sensitive measurements performed on18O‐enriched samples reveal that for both materials the IR absorption lines are due to splitstretch vibrations of a distorted sulfate () tetrahedron, whereby the local point group of thecomplex is reduced toandin hexagonal CdSe and cubic CdTe, respectively. Measurements on the vibrational spectrum of the sulfate species in the spectral range of symmetric stretch (), bend (), and combination modes () are presented. The cation vacancyis discussed as a likely site occupied byin CdSe.