Substitutional Sulfur in CdSe: Localized Vibrational Modes
Substitutional Sulfur in CdSe: Localized Vibrational Modes
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DOI：
10.1002/pssb.202000204
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发表时间：
2020-07
期刊：
影响因子：
--
通讯作者：
F. Herklotz;E. Lavrov;V. Melnikov
中科院分区：
文献类型：
--
作者：
F. Herklotz;E. Lavrov;V. Melnikov
采用红外吸收光谱和第一性原理计算相结合的方法，确定了纤锌矿型CdSe中硒位的替位硫。主要的S32同位素在270.6和271.4 cm − 1（10 K）产生两个局域振动模，分别归属于C3v点群的非简并A1和双重简并E表示。S34同位素的相应信号出现在263.6和264.4 cm − 1处。对不同制造商提供的一组样品进行测量的结果突出表明，硫是在生长过程中无意中掺入晶体中的CdSe中普遍存在的杂质。
The substitutional sulfur at the selen site in wurtzite CdSe is identified by a combination of infrared absorption spectroscopy and first principles calculations. The dominant S32 isotope gives rise to two local vibrational modes at 270.6 and 271.4 cm−1 (10 K) assigned to the nondegenerate A1 and the twofold degenerate E representations of the C3v point group. The corresponding signals of the S34 isotope occur at 263.6 and 264.4 cm−1. The results of measurements performed on a set of samples supplied by different manufacturers highlight that sulfur is an ubiquitous impurity in CdSe unintentionally incorporated into the crystals during the process of growth.