Ab initio calculations reveal that free-carrier screening enhances electron mobility in CaSnO3, suggesting it’s suitable for transparent conducting oxide applications.
Alkaline earth stannates have emerged as promising transparent conducting oxides due to their wide bandgaps and high room-temperature electron mobilities. Among them, CaSnO3 possesses the widest bandgap, yet reported mobilities vary widely and are highly sample-dependent, leaving its intrinsic limit unclear. Here, we present ab initio calculations of electron mobility in CaSnO3 across a range of temperatures and doping levels, using state-of-the-art methods that explicitly account for free-carrier screening in electron-phonon interactions. We identify the dominant limiting mechanism to be the long-range longitudinal optical phonon scattering, which is significantly suppressed at high doping due to free-carrier screening, leading to enhanced phonon-limited mobility. While ionized impurity scattering emerges as a competing mechanism at carrier concentrations up to ∼ 1020 cm−3, the phonon scattering reduction dominates, yielding a net mobility increase with predicted room-temperature values reaching about twice the highest experimental report. Our work highlights the substantial untapped conductivity in CaSnO3, establishing it as a compelling ultrawide bandgap semiconductor for transparent and high-power electronic applications.
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Gong et al. (2025) studied this question.
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