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cond-mat.mtrl-sci2024
On the band gap variation in CHNHPb(IBr)
Sergei M. Butorin
The electronic structure and the band gap behavior of CHNHPb(IBr) for =0.25, 0.33, 0.50, 0.67, 0.75, 1.00 were studied using the full-relativistic densit…
physics.comp-ph2024
Band gaps of hybrid metal halide perovskites: efficient estimation
Sergei M. Butorin
The employment of the parameter-free Armiento-Kümmel generalized gradient approximation (AK13-GGA) exchange functional was examined as means of the band gap prediction for hybrid m…