Raman Selection Rules Calculator: A simplified selection rules calculator for Raman spectroscopy experiment

被引:0
|
作者
Setnikar, Gregory [1 ]
Samson, Julien [1 ]
Measson, Marie-Aude [1 ]
机构
[1] Univ Grenoble Alpes, Inst Neel, CNRS, Grenoble INP, F-38000 Grenoble, France
基金
欧洲研究理事会;
关键词
Raman spectroscopy; Selection rules; Node; !text type='js']js[!/text; !text type='Python']Python[!/text; BILBAO CRYSTALLOGRAPHIC SERVER;
D O I
10.1016/j.softx.2022.101152
中图分类号
TP31 [计算机软件];
学科分类号
081202 ; 0835 ;
摘要
Raman spectroscopy is known to be a powerful technique to obtain the symmetries of excitations of condensed matter crystalline systems thanks to the polarization-dependence selection rules of the Raman signal. To be computed, the selection rules require systematic matrix multiplications, based on group theory. This is time consuming, especially when various configurations of lights polarizations and crystal orientation have to be checked. The software "Raman Selection Rules Calculator"addresses the need of fast calculations of Raman selection rules in the most general cases, including for non-trivial orientation. The software has been designed to be easy to use and accessible on a large number of platforms, Windows, Mac, Linux and on-line. (c) 2022 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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页数:4
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