Free-carrier screening unlocks high electron mobility in ultrawide bandgap semiconductor CaSnO
arXiv:2509.00307 · doi:10.1063/5.0282908
Abstract
Alkaline earth stannates have emerged as promising transparent conducting oxides due to their wide band gaps and high room-temperature electron mobilities. Among them, CaSnO possesses the widest band gap, 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 CaSnO 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 ~10 cm, 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 CaSnO, establishing it as a compelling ultrawide bandgap semiconductor for transparent and high-power electronic applications.
5 pages, 4 figures, accepted by Appl. Phys. Lett
References in corpus (5)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Restoring the density-gradient expansion for exchange in solids and surfaces
- Generalized gradient approximation for solids and their surfaces
- Ab initio Electron Mobility and Polar Phonon Scattering in GaAs
- Transparent perovskite barium stannate with high electron mobility and thermal stability