Isotope engineering of carrier mobility via Fröhlich electron-phonon interaction

Abstract

Isotope effects on phonon properties and transport have been predicted and observed for decades. However, despite the crucial impact of electron-phonon interactions, the effect of isotopes on electron transport remains largely unexplored. Here, by using first-principles calculations, we theoretically predict that the electron mobility of lithium hydride (LiH) can increase by up to ~100% as ${}^3\mathrm{H}$ is replaced with ${}^1\mathrm{H}$. This remarkable phenomenon is primarily attributed to the isotope engineering of the Fröhlich interaction by the mass-induced line shift of the longitudinal optical (LO) phonons. Notably, the isotope-dependent absorption of LO phonons dominates while the isotope-insensitive emission process is mostly suppressed due to energy conservation. We further propose general guidelines for evaluating isotope effects on carrier transport in different materials.

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