Authors: Jian Xu, Jian‐Bo Liu, Jianfeng Wang, Bai‐Xin Liu, Bing Huang
Published: 2020-06-05
Source: Full article
AbstractThe search for high‐performance p‐type transparent conductors is crucial to many emerging optoelectronic applications. Motivated by the pioneer predictions of the existence of intrinsic p‐type conductivity in several wide‐gap layered halide double perovskites, Hu et al. synthesize the Cs4CdSb2Cl12 compound, but fail to observe the p‐type conductivity. They argue that the different conclusion is mostly due to the chemical potential boundary overestimation and bandgap underestimation in the initial calculations. In this study, based on the additional calculations, it is demonstrated that these two factors raised by Hu et al. will not affect the major conclusions, although the pinned Fermi level (EF‐pin) can slightly be changed. Importantly, it is found that the different conclusion obtains by Xu et al. and Hu et al. is mostly due to the different crystal phases adopted, which can have a big impact on the calculated EF‐pin positions and the resulting p‐type performance. Finally, besides the careful control of growth conditions for reaching the ideal p‐type chemical potential regions, it is suggested that a moderate strain/pressure or fast quenching may be further adopted to enhance the p‐type conductivity in Cs4CdSb2Cl12 and other similar compounds for better experimental observations.