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Crystalline black nitrogen (BN) is an allotrope of nitrogen with the blackphosphorus (BP) structure recently synthesized at high pressure by twoindependent research groups [Ji et al., Sci. Adv. 6, eaba9206 (2020); Laniel etal., Phys. Rev. Lett. 124, 216001 (2020)]. Here, we present a systematic studyof the electronic and optical properties of BN focusing on its comparison withBP. To this end, we use the state-of-the-art quasiparticle self-consistent $GW$approach with vertex corrections in both the electronic and optical channels.Despite many similarities, the properties of BN are found to be considerablydifferent. Unlike BP, BN exhibits a larger optical gap (2.5 vs 0.26 eV), makingBN transparent in the visible spectral region with a highly anisotropic opticalresponse. This difference can be primarily attributed to a considerably reduceddielectric screening in BN, leading to enhancement of the effective Coulombinteraction. Despite relatively strong Coulomb interaction, exciton formationis largely suppressed in both materials. Our analysis of the elastic propertiesshows exceptionally high stiffness of BN, comparable to that of diamond.

Electronic and optical properties of crystalline nitrogen versus black phosphorus: A comparative first-principles study