论文标题
评论一个新颖的二维硼碳碳(BCN)单层:第一原则的见解[J.应用。物理。 2021、130、114301]
Comment on A novel two-dimensional boron carbon nitride (BCN) monolayer: A first-principles insight [J. Appl. Phys. 2021, 130, 114301]
论文作者
论文摘要
最近,Bafekry等。 [J。应用。物理。 130,114301(2021)]报告了其密度功能理论(DFT)的结果,其结果是BCN单层的结构,声子分散,弹性常数和电子性能。然而,前面提到的理论工作包括错误的结果和讨论,如下所述。
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.