Published May 26, 2026 | Version v1
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Data availability for "Optical selection rules in hexagonal Ge polytypes and their lifting by symmetry perturbation"

  • 1. ROR icon Friedrich Schiller University Jena
  • 2. ROR icon Ruhr University Bochum

Description

This repository accompanies the manuscript “Optical selection rules in hexagonal Ge polytypes and their lifting by symmetry perturbation” and contains vasprun.xml files of all calculations. The manuscript presents DFT calculations made with VASP of the 2H, 4H and 6H polytypes of Ge and SiGe and discusses their electronic and optical properties. The first part presents transition matrix elements and the radiative lifetimes. The second part presents the dielectric functions and absorptions of the structures from model BSE calculations.

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References

Preprint (Preprint where the data is discussed)
M. Keller, H. Wang, F, Bechstedtm J. Furthmüller, S. Botti, arXiv:2605.10709v1 [cond-mat.mtrl-sci] (2026), doi: 10.48550/arXiv.2605.10709