Pressure and strain effects on the optical properties of K4 phosphorus

TL;DR

This study explores how pressure and strain influence the mechanical, electronic, and optical properties of K4 phosphorus, revealing its stability, elastic behavior, and optical changes under different conditions.

Contribution

It provides new insights into the pressure and strain effects on K4 phosphorus's properties, including stability, elasticity, and optical behavior, which were not previously detailed.

Findings

K4 phosphorus is stable up to 7 GPa under hydrostatic pressure.

It cleaves at a tensile strength of 8.5 GPa with 0.3 strain.

Optical properties and band gap are affected by pressure and tensile strain.

Abstract

An investigation of the mechanical, electronic, and optical properties of the recently reported material K4 phosphorus was made in this work. The K4 phosphorus has been proved to be mechanically and dynamically stable up to 7 GPa under hydrostatic pressure. We compared the elastic anisotropy, average acoustic velocity and Debye temperature of K4 phosphorus at 0 and 7 GPa. The ideal tensile at large strains of K4 phosphorus was also examined, with the results showing that it would cleave under the tensile strength of 8.5 GPa with the strain of 0.3. In addition, the effect of tensile strain and pressure on optical properties and band gap were studied.