Data availability for "Optical selection rules in hexagonal Ge polytypes and their lifting by symmetry perturbation"
Creators
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.
Files
File preview
dielectric_function.zip
All files
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