Resonant Ce Doping for High-Mobility In2O3-Based Conductors with Enhanced Near-Infrared Transparency DFT Dataset
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Final relaxed structures of In2O3 host supercell and defective supercells in the VASP POSCAR format. Also includes a .dat file containing the total energies of each defect species, all the post-processing defect correction values and the dielectric constant. Chemical potential details included in the ESI of paper.
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Zenodo创建时间：
2021-02-16
