Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides
收藏Mendeley Data2024-06-25 更新2024-06-29 收录
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https://www.materialsdatafacility.org/detail/cdx_impurity_levels_dft_v1.1
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资源简介：
This dataset contains density functional theory (DFT) computed formation energies and charge transition levels of substitutional and interstitial atomic impurities in Cd-chalcogenide semiconductors, published in this paper: https://www.nature.com/articles/s41524-020-0296-7. PBE_data.csv contains impurity data computed at the PBE level of theory. HSE_data.csv contains impurity data computed at the HSE06 level of theory.
创建时间：
2023-06-28
