ハロゲン化鉛ペロブスカイトにおけるドーパントの特性：第一原理計算による検討

抄録

Solar cells made of lead halide perovskites like CH₃NH₃PbI₃ have attracted much attention because of their high efficiency around 23%. In this work, we study the stability and electronic properties of various substitutional dopants, using the first-principles calculations. We found that the Te and Po dopings are effective to realize the p-type system, while the Bi₂Se codoping is useful to produce the n-type syetem.