2D materials with Dirac cones, which show a linear band character near the Fermi level, exhibit many novel properties. Herein, based on first-principles calculations, the 2D phosphorus carbide (PC5${\text{PC}}_5$${\text{PC}}_5$) monolayer is studied systematically. The stability is examined by calculating the formation energy, phonon dispersion, and elastic constants as well as by performing ab initio molecular dynamics (AIMD) simulations. Due to the similarity of its structure to that of graphene, one Dirac cone is exactly located at the Fermi level, which is very robust against external biaxial and uniaxial strains. Treating the PC5${\text{PC}}_5$${\text{PC}}_5$ monolayer as graphene with doped P atoms along the armchair direction, a 3𝑁$3N$$3N$ rule is found similar to that of graphene nanoribbons with armchair edges. These physical properties make the PC5${\text{PC}}_5$${\text{PC}}_5$ monolayer a promising 2D material for emerging electronics applications.

中文翻译：

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具有狄拉克锥和边缘尺寸依赖性的新型 2D PC 5

具有狄拉克锥的二维材料在费米能级附近显示出线性带特征，具有许多新颖的特性。在此，基于第一性原理计算，二维碳化磷（个人电脑5${\text{个人电脑}}_5$${\text{PC}}_5$) 单层被系统地研究。通过计算形成能、声子色散和弹性常数以及执行从头算分子动力学 (AIMD) 模拟来检查稳定性。由于其结构与石墨烯的相似性，一个狄拉克锥恰好位于费米能级，这对外部双轴和单轴应变非常稳健。治疗个人电脑5${\text{个人电脑}}_5$${\text{PC}}_5$单层石墨烯，沿扶手椅方向掺杂 P 原子，a3 𝑁$3ñ$$3N$发现规则类似于具有扶手椅边缘的石墨烯纳米带。这些物理特性使个人电脑5${\text{个人电脑}}_5$${\text{PC}}_5$单层是一种用于新兴电子应用的有前途的二维材料。