DFT Simulated Defect Formation Energies of Thorium-Doped LiCAF and LiSAF
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AiiDA Workflow to arrive at defect formation energies of Th:LiCAF and Th:LiSAF. Calculated with VASP. More details at the preprint and the journal article. Dataset for Fig. 1.
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Zenodo创建时间:
2025-07-17



