Modulating the optical and electronic properties of highly symmetric Si quantumdots

Abstract

The optical and electronic properties of quantum dots are critically influenced by theelectronic states around the last occupied first empty levels. Using density functionaltheory calculations we show three alternative ways to alter the optical response of highlystable, highly symmetric hydrogen-terminated fullerene and polycrystalline Si quantumdots: small shape changes, applied uniaxial strain and exohedral doping. Thedemonstrated effectiveness renders symmetry lowering, the common theme of theseprocesses, as a promising concept for deliberately adjusting optical response.