Boron nitride structures have excellent thermal and chemical stabilities. Based on state-of-art theoretical calculations, we propose a wide gap semiconducting BN crystal with a three-dimensional hyperhoneycomb structure (Hp-BN), which is both mechanically and thermodynamically stable. Our calculated results show that Hp-BN has a higher bulk modulus and a smaller energy gap as compared to c-BN. Moreover, due to the unique bonding structure, Hp-BN exhibits anisotropic electronic and optical properties. It has great adsorption in the ultraviolet region, but it is highly transparent in the visible and infrared region, suggesting that the Hp-BN crystal could have potential applications in electronic and optical devices.
@article{arxiv.1710.06337,
title = {Hyperhoneycomb boron nitride with anisotropic mechanical, electronic and optical properties},
author = {Jin Yu and Lihua Qu and Edo van Veen and Mikhail I. Katsnelson and Shengjun Yuan},
journal= {arXiv preprint arXiv:1710.06337},
year = {2017}
}