Comment on A novel two-dimensional boron carbon nitride (BCN) monolayer: A first-principles insight [J. Appl. Phys. 2021, 130, 114301]

TL;DR

This paper critiques a recent DFT study on a BCN monolayer, clarifying errors in the original analysis of its structural, phononic, elastic, and electronic properties.

Contribution

It provides a detailed correction and clarification of the previous DFT results on the BCN monolayer, highlighting inaccuracies in the original study.

Findings

Identified errors in the original DFT calculations.

Clarified the structural and electronic properties of BCN monolayer.

Corrected the phonon dispersion and elastic constant analyses.

Abstract

Recently, Bafekry et al. [J. Appl. Phys. 130, 114301(2021)] reported their density functional theory (DFT) results on the structural, phonon dispersion, elastic constants and electronic properties of a BCN monolayer. The aforementioned theoretical work however includes erroneous results and discussions, as will be explained in the following.