Comment on “Wide‐Range‐Tunable p‐Type Conductivity of Transparent CuI1‐xBrx Alloy”

Abstract In a recent article, Yamada et al. proposed to utilize CuI‐CuBr alloys (CuI 1‐x Br x ) as a hole‐density‐tunable p ‐type transparent semiconductor. Employing first‐principles calculations, they attributed the acceptor state to Cu vacancies ( V Cu ). Despite the interesting experimental demonstration, it is found that the first‐principles results in the paper are unphysical and misleading due to the adoption of an incorrect level of theory and the lack of a rigorous methodology for computing defect formation energies. Below are the specific concerns.