Response to "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 clarifies the authors' original work on a 2D BCN monolayer by using fingerprint theory to analyze structural similarity, emphasizing the robustness of this method against atomic position deviations.

Contribution

The authors apply fingerprint theory to validate the structural analysis of the BCN monolayer, providing a quantitative measure of order and complexity.

Findings

Fingerprint theory effectively distinguishes structural similarities.

Small atomic deviations minimally affect fingerprint results.

Quantitative assessment of crystal structure complexity.

Abstract

Recently, reported a comments on the our paper [JAP21-AR-03574R].. For clarification, we applied the fingerprint theory to examine the similarity between the distinct structures. The fingerprint function is a crystal structure descriptor, an 1D-function related to the pair correlation function and diffraction patterns. It does not depend on absolute atomic coordinates, but only on interatomic distances. Small deviations in atomic positions will influence the fingerprints only slightly [1-3]. Fingerprint theory allows quantification of the degree of order and complexity of a crystal structure.