Hydrogenation Induced Carrier Mobility Polarity Reversal in Monolayer AlN

Two‐dimensional (2D) materials promote the development of nanoelectronic devices, which requires candidate systems with both a high carrier mobility and a moderate electronic bandgap. We present a first principles calculation of the intrinsic carrier mobilities of pristine (1L‐AlN) and hydrogenated (1L‐AlN‐H 2 ) monolayer AlN. Numerical results reveal that 1L‐AlN shows a hole‐dominated ultra‐large carrier mobility (up to 5277 cm 2 V −1 s −1 ). Upon full hydrogenation (1L‐AlN‐H 2 ), the polarity of carrier mobility is reversed from hole dominated to electron dominated. This tunable polarity of intrinsic carrier mobility indicates monolayer AlN as a promising candidate for future nanoelectronics.