Pentaoctite phase: A new group V allotrope

TL;DR

This paper introduces a new pentaoctite phase for group V allotropes like antimonene, arsenene, and phosphorene, showing their stability and potential for optoelectronic applications through first-principles calculations.

Contribution

It proposes a novel pentaoctite structure for group V 2D materials and demonstrates their stability and optical properties using advanced computational methods.

Findings

All structures are stable according to phonon spectra.

External strain can convert indirect to direct band gaps.

Absorption spectra lie in the visible region.

Abstract

By performing firt-principles electronic calculations we propose new a phase of group-V allotropes of antimonene, arsenene and phosphorene in the pentaoctite structure. By calculating the phonon spectra, we show that all these phases are stable. Whereas these structures have a indirect band gap, they can be made direct gap materials by applying external strain. GW calculations of the dielectric function demonstrate that all these structures have an absorption spectrum in the visible region, which could be useful for group-V optoelectronics.