Comment on “Two-dimensional honeycomb borophene oxide: strong anisotropy and nodal loop transformation” by C. Zhong, W. Wu, J. He, G. Ding, Y. Liu, D. Li, S. A. Yang and G. Zhang, Nanoscale, 2019, 11, 2468

Abstract

In the paper [Zhong et al., Nanoscale, 2019, 11, 2468–2475] honeycomb borophene oxide (h-B₂O) was introduced as a new member of the extensive family of 2D materials. A tight-binding (TB) model was proposed to describe its electronic properties. However, in the present study, it is demonstrated that the calculated parameters of the model are inaccurate. To address this issue, the TB Hamiltonian was first derived using an exact analytical approach. The optimal coefficients were then determined by combining results from the Vienna Ab initio Simulation Package (VASP) with a meta-heuristic genetic algorithm (GA).