Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor"
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https://doi.org/10.15125/BATH-00338
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资源简介:
Raw data to accompany the article "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor".
This dataset contains the optimised crystal structure of pi-cubic SnS, data from the lattice-dynamics calculations including the calculated force constants and phonon spectra, data from the electronic-structure calculations, and the simulated frequency-dependent dielectric function and derived properties.
伴随文章《亚稳态立方锡硫化物:一种新型的声子稳定手性半导体》的原始数据集。该数据集包含π-立方SnS的最优化晶体结构、晶格动力学计算数据,包括计算出的力常数和声子谱,电子结构计算数据,以及模拟的频率相关介电函数及其衍生性质。
提供机构:
University of Bath Research Data Archive



