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Fig. 2. (Color online) (a) Partial density of states of BaZrOS2 at the DFT+U level of theory and (b) DFT+U and HSE band gaps in the BaZr(OxS1-x)3 series. Adapted with permission from Ref. [9] Copyright 2019 The Royal Society of Chemistry.
New Phys.: Sae Mulli 2021;71:991~1003 https://doi.org/10.3938/NPSM.71.991
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