Wide-bandgap semiconductor of three-dimensional unconventional stoichiometric NaCl2 crystal
Abstract
The expanding applications call for novel new-generation wide-bandgap semiconductors. Here, we show that a compound only composed of the ordinary elements Na and Cl, namely three-dimensional NaCl2 crystal, is a wide-bandgap semiconductor. This finding benefits from the breaking of conventional stoichiometry frameworks in the theoretical design, leading to the discovery of three-dimensional XY2 (X = Na, Li, K; Y = Cl, F, Br, I) crystals, with covalent bonds of Y pairs inducing the wide bandgap from 2.24 to 4.45 eV. Crucially, such an unexpected NaCl2 crystal was successfully synthesized under ambient conditions. The unconventional stoichiometric strategy with other chemical elements potentially yields more wide-bandgap semiconductors, offering the capability for bandgap tuning. These unconventional stoichiometric materials may also exhibit superconductivity, transparent inorganic electrides, high-energy-density, and beyond.
Keywords
Cite
@article{arxiv.2406.12889,
title = {Wide-bandgap semiconductor of three-dimensional unconventional stoichiometric NaCl2 crystal},
author = {Siyan Gao and Junlin Jia and Xu Wang and Yue-Yu Zhang and Yijie Xiang and Pei Li and Ruobing Yi and Xuchang Su and Guosheng Shi and Feifei Qin and Yi-Feng Zheng and Lei Chen and Yu Qiang and Junjie Zhang and Lei Zhang and Haiping Fang},
journal= {arXiv preprint arXiv:2406.12889},
year = {2024}
}