中文摘要：

采用第一性原理方法研究了二维单原子层六角氮化硼（hexagonal boron nitride,H-BN）在不同应变状态下的光学性质.计算结果表明：二维单原子层H-BN光学性质对晶格应变敏感;在平面对称和非对称应变下,随着晶格常数的增大,原子层H-BN的介电函数峰都发生红移;在非对称应变下,由于对称性破坏,单层H-BN表现出各向异性的光学性质.这些结果表明,平面内应变可以有效地调节H-BN的光学性质.

英文摘要：

The optical properties of two-dimensional hexagonal boron nitride under different planar strain distributions have been studied using the first principles methods.It is found that the optical properties of2 D H-BN are sensitive to the strain distributions.The peaks of dielectric functions are red shift under both symmetrical and asymmetrical strain distributions.Moreover,the optical properties exhibit anisotropic characteristics under asymmetrical strain distributions as the change of the bonds and the electrons transfer.These results indicate that the optical properties of 2D H-BN can be modulated by planar strain,offering an effective method for designing nanoscale tunable ultrathin optoelectronic devices.