Raman spectroscopy data and phonon calculations for ScV6Sn6 in P6/mmm and R-3m structures, 2023
收藏DataCite Commons2023-08-11 更新2025-04-09 收录
下载链接：
https://hdl.handle.net/11299/254842
下载链接
链接失效反馈官方服务：
资源简介：
We use density functional theory (DFT) to calculate the phonon frequencies and the distortions associated with them in the compound ScV6Sn6 in the P6/mmm and R-3m space groups, then compute the overlap between the Raman-active phonons in each structure. This data includes scripts to generate the DFT submission files, the results of those simulations, as well as MATLAB scripts to plot the results. We also include experimental Raman spectroscopy data at temperatures from 5.5 K to 300 K.
提供机构：
Data Repository for the University of Minnesota (DRUM)
创建时间：
2023-08-11
