Bandgap Engineering for Hexagonal Silicon Polytypes
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This folder contains the computational input files used. It is intended to help reviewers and collaborators quickly locate the relevant calculations. This folder contains structural, elastic, electronic bandgap, optical, and phonon dispersion calculations for the hexagonal polytypes (2H to 24H). The data is grouped by calculation type.
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Zenodo创建时间:
2025-09-17



