二维B_3N_2单层片结构的电子性质和稳定性的研究

Research on Electronic Properties and Stability of Two-dimensional B_3N_2 Monolayer Sheet

文中构建出了一种稳定的类石墨烯二维B_3N_2单层片结构,并使用密度泛函理论对其电子结构性质和稳定性进行了研究,计算结果表明,二维B_3N_2单层片结构的几何结构稳定性和热力学稳定性都比较高,电子性质的计算表明B_3N_2单层片是无磁性的导体,具有金属的特性。希望文中的研究能够为纳米材料领域提供新的素材。

We construct a kind of stable two-dimensional B_3N_2 monolayer sheet structure.Electronic properties and stability of B_3N_2 monolayer sheet have been studied using the density functional theory.The results show that the stability of the geometric structure and thermodynamic stability of two-dimensional B_3N_2 monolayer sheet structure are both very high.The calculation of electronic properties of B_3N_2 monolayer sheet shows that it is non-magnetic conductor with the characteristics of metal.We hope this research can provide new material for nanometer material field.