Data for: A Computational Dieke Design Map for Near-Infrared Optical Absorption in Transition Metal-Substituted Yttria-Stabilized Zirconia
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下载链接：
https://dataverse.lib.virginia.edu/citation?persistentId=doi:10.18130/V3/9DMDUS
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资源简介：
Collection of 16 transition metal-substituted YSZ (yttria-stabilized zirconia) structure files and corresponding Yambo GW-BSE output logs, organized by dopant and nominal charge state. The crystal structure file can be used to replicate the GW-BSE calculation discussed in the manuscript, and the GW-BSE output log can be used a reference of GW-BSE calculations.
提供机构：
University of Virginia Dataverse
创建时间：
2026-02-02
