Mg-IV-V chalcopyrites in thin film tandem photovoltaic cells

Tandem cells made out II-IV-V chalcopyrites consisting of alloys and compounds of (Mg,Zn,Cd)(Si,Ge,Sn)(P,As) 2 are a unique set of candidate materials, that can potentially be optimal for solar cell design. While the Zn- and Cd- based compounds have all been synthesized, little is known about the Mg compounds. We analyze the energy band structure theoretically using a recently developed Quasiparticle Self-consistent GW theory, which enables us to accurately address the electronic structure from first principles.