In this paper, based on full potential density functional theory calculations, the electronic and optical properties of aluminium and gallium phosphide (AlP and GaP) graphene-like structures are investigated under different biaxial compressive and tensile strain loads. One of the fascinating properties of these new monolayers is their high stretch-ability and high mechanosensitivity of their electronic and optical features. The electronic calculations display that the energy gap of materials versus the exerted strain can be estimated by a second order polynomial equation. Furthermore, the optical calculations indicate that the electronic and optical gap of AlP and GaP monolayers can be tuned by biaxial strain loads.

本文基于全电势密度泛函理论计算，研究了铝和磷化石墨（AlP和GaP）石墨烯状结构在不同双轴压缩和拉伸应变载荷下的电子和光学性能。这些新型单分子膜的迷人特性之一是其电子和光学特性的高拉伸性和高机械敏感性。电子计算表明，材料的能隙与所施加的应变之间的关系可以通过二阶多项式方程估算。此外，光学计算表明，AlP和GaP单层的电子和光学间隙可以通过双轴应变载荷进行调节。