Published February 16, 2021
| Version 1
Dataset
Open
Resonant Ce Doping for High-Mobility In2O3-Based Conductors with Enhanced Near-Infrared Transparency DFT Dataset
Description
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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Additional details
Funding
- UK Research and Innovation
- EPSRC Centre for Doctoral Training in Molecular Modelling and Materials Science EP/L015862/1