The electronic structure and optical response of silicane to strain are investigated by employing first-principles calculations based on many-body perturbation theory. The bandgap can be efficiently engineered in a broad range and an indirect to direct bandgap transition is observed under a strain of 2.74%; the semiconducting silicane can even be turned into a metal under a very large strain. The transitions derive from the persistent downward shift of the lowest conduction band at the Γ-point upon an increasing strain. The quasi-particle bandgaps of silicane are sizable due to the weak dielectric screening and the low dimension; they are rapidly reduced as strain increases while the exciton bound energy is not that sensitive. Moreover, the optical absorption edge of the strained silicane significantly shifts towards a low photon energy region and falls into the visible light range, which might serve as a promising candidate for optoelectronic devices.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry