Research Data supporting "Role of Local Cation Environment on the Formation Energy of Oxygen Vacancies in Ferroelectric Hf1−xZrxO2"
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https://www.repository.cam.ac.uk/handle/1810/389433
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资源简介：
Contains the data used to create the figures in the main text and supplementary information of the paper. The research looks at the interplay of oxygen vacancies and Zr doping in HZO structures, the data contains formation energies of oxygen vacancies in different charge states for different Zr doping concentrations. The defect-free structure files are included. There is also datasets that contain the results of the COHP analysis done.
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2025-09-14
