Exploring the electronic structure properties and oxygen vacancies in SrTiO3 under strain
收藏DataCite Commons2024-07-12 更新2024-07-13 收录
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https://data.dtu.dk/articles/dataset/Exploring_the_electronic_structure_properties_and_oxygen_vacancies_in_SrTiO3_under_strain/20036264
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<em>The data set contains all the relaxed structures in CONTCAR files and can be visualized with VESTA which is an open access program and can be downloaded online</em> <em>https://jp-minerals.org/vesta/en/</em><em>. The related calculated total energy and input set parameters could be seen in the OUTCAR files.</em>
<em>And the band structure pdos can be obtained from vasprun by p4vasp</em>
提供机构：
Technical University of Denmark
创建时间：
2022-06-09
