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Extreme-Band-Gap Semiconductors with Shallow Dopants and Mobile Carriers
Sieun Chae, Nocona Sanders, Kelsey A. Mengle, Amanda Wang, Xiao Zhang, Jon Lafuente Bartolome, Kaifa Luo, Yen-Chun Huang, Feliciano Giustino, John T. Heron, Emmanouil Kioupakis
https://arxiv.org/abs/2506.07284

Extreme-Band-Gap Semiconductors with Shallow Dopants and Mobile Carriers
The conventional distinction between semiconductors and insulators is often based on the magnitude of the band gap, with materials exhibiting gaps wider than 3 eV typically classified as insulators. However, the emergence of ultra-wide-band-gap (UWBG) semiconductors such as AlGaN, diamond, BN, and Ga2O3 challenges this paradigm for materials classification and raises fundamental questions about the upper bound of band gaps compatible with semiconducting behavior. Here we develop a computational…