Two-Dimensional PN Monolayer Sheets with Fantastic Structures and Properties

Abstract

Three two-dimensional phosphorus nitride (PN) monolayer sheets (named as $\alpha$-, $\beta$-, and $\gamma$-PN, respectively) with fantastic structures and properties are predicted based on first-principles calculations. The $\alpha$-PN and $\gamma$-PN are buckled structure, whereas $\beta$-PN shows puckered characteristics. Their unique structures endows these atomic PN sheets with high dynamic stabilities and anisotropic mechanical properties. They are all indirect semiconductors and their band gap sensitively depends on the in-plane strain. Moreover, the nanoribbons patterned from these three PN monolayers demonstrate remarkable quantum size effect. Particularly, the Zigzag $\alpha$-PN nanoribbon shows size-dependent ferromagnetism. Their significant properties show potential in nano-electronics. The synthesis of the three phases of PN monolayer sheets is proposed theoretically, which is deserved to further study in experiments.

8 pages, 7 figures

References in corpus (7)

• The electronic properties of graphene
• Two Dimensional Atomic Crystals
• Phosphorene: A New 2D Material with High Carrier Mobility
• High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
• Semiconducting layered blue phosphorus: A computational study
• Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems
• Phase coexistence and metal-insulator transition in few-layer phosphorene: A computational study