Datasets for DFT and HSE+SOC calculations on halide perovskite materials
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https://figshare.com/articles/dataset/Datasets_for_DFT_and_HSE_SOC_calculations_on_halide_perovskite_materials/31032910
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资源简介：
Theoretical study of the upward band gap bowing effect in halide perovskite materials based on density functional theory (DFT) and hybrid functional (HSE+SOC).
创建时间：
2026-01-09
