# Structural Complexity and Phonon Physics in 2D Arsenenes

## TL;DR

This study reveals that phonon effects significantly influence the stability and thermal properties of 2D arsenene structures, emphasizing the importance of vibrational analysis in 2D material research.

## Contribution

It demonstrates the crucial role of phonon contributions in determining stability and thermal conductivity, challenging previous assumptions and highlighting vibrational properties in 2D arsenenes.

## Key findings

- Phonon contributions alter the relative stability of arsenene phases.
- One of the four claimed arsenene phases is mechanically unstable.
- Thermal conductivity does not inversely correlate with structural complexity.

## Abstract

In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of those structures differs from previous reports and depends crucially on temperature. We also show that one of those four phases is in fact mechanically unstable. Furthermore, our results challenge the common assumption of an inverse correlation between structural complexity and thermal conductivity. Instead, a richer picture emerges from our results, showing how harmonic interactions, anharmonicity and symmetries all play a role in modulating thermal conduction in arsenenes. More generally, our conclusions highlight how vibrational properties are an essential element to be carefully taken into account in theoretical searches for new 2D materials.