Transition metal-doped 3C-SiC as a promising material for intermediate band solar cells

摘要

In this report the un-surveyed domain of silicon-based intermediate band solar cell (IBSC) has been studied. Intermediate band (IB) has been created in 3C-SiC through substitution of cobalt (Co) atoms within super cell structures as a consequence of interaction between the crystalline potential and spin interaction with d orbitals of Co. The band structure, density of state and absorption coefficient of the new material have been extracted. Large band gap of 3C-SiC along with the proper selection of the guest Co atoms provides both high conversion efficiency and also, the possibility to reach the theoretical optimal band gap for photovoltaic applications. However, we demonstrated that a metallic narrow IB is formed whiten the forbidden band energy of 3C-SiC when Co atoms are located inside that. The maximum conversion efficiencies near 60% and 55% are obtained under AM1.5 and AM0 spectra, respectively. Our theoretical results provide a possible way to design high efficiency solar cell based on silicon carbide.