Strain-engineering of anisotropic behavior in the electrical and optical properties of graphene-like borophene hydride, a DFT calculation

In this work, we have investigated electronic transport and optical properties of graphene-like borophene hydride (g-BH); stable graphene-like structure of hydrogenated borophene, using density functional theory. For these purposes; partial density of states, band structure, I-V characteristic, complex dielectric function, energy loss function, absorption, extinction, and reflection coefficients were calculated. Metallic behavior was observed along two in-plane directions of the monolayer. We have observed an anisotropic behavior in the electronic transport of the g-BH monolayer as well as in the optical properties. Additionally, uniaxial and biaxial strain effects on the g-BH properties were studied. The results indicated that the amount of current density passing through the sheet, the light absorption edge, and other optical properties of this material can be controlled by applying the strain.