Strain-tuned optical properties of bilayer silicon at midinfrared wavelengths

Abstract

Optical properties of two-dimensional bilayer silicon have been explored at midinfrared wavelengths using density functional theory. In this work, progressive atomic structural deformation and the resultant variations in the optical properties of the bilayer silicon films were investigated under external in-plane strain. A phase transformation of the atomic structure has been observed at an applied in-plane tensile strain of 5.17%, at which the atomic lattice is changed from a low buckled to a buckle-free honeycomb structure. Evaluations of the optical properties were carried out by taking into account the inter- and intraband transitions. An abrupt change in the optical refraction index was observed at the phase transition. In addition, the buckle-free honeycomb structure presents a strain-resistive absorption edge pinned at 1.14 μm wavelength. Exceeding a strain threshold of 12.26% results in the development of both direct- and indirect-energy bandgap openings. The direct bandgap induced interband optical transitions, resulting in absorption peaks at midinfrared wavelengths and a drastic increase in the refraction index. Moreover, by adjusting the strain, the optical absorptions can be tuned in a wide range of wavelength at midinfrared from 1.5 to 11.5 μm.