Fine-tuning the Optoelectronic Properties of Borophene by Strain

Here, we present an extensive first- principles study of the structural and optoelectronic properties of the two proposed structures of borophene under strain. With a density functional theory analysis, we determine that the optical absorbance and electronic band structure are continuously tunable upon application of few percent of strain. While both structures remain metallic with moderate strains of up to 6%, key features of the band structure, as well as the in-plane anisotropy of the complex dielectric function and optical absorption can be significantly modified.