Superior p‐Type Surface Doping of Cubic Boron Nitride via MoO3 Adsorption

Abstract

AbstractCubic boron nitride (c‐BN) is a potential candidate material for electronic and optoelectronic devices under extreme conditions, while the difficulty in conventional doping severely hinders its applications. Herein, by first‐principles calculation, an efficient p‐type doping on the c‐BN surface (areal hole density of 8.82 × 1013 cm−2 and hole mobility of 826 cm2 V−1 s−1 at room temperature) is realized by the surface charge transfer mechanism with the MoO3 molecule having a high electron affinity as the dopant. The MoO3 molecule draws electrons from the c‐BN, making the hole accumulation on the c‐BN surface. The areal hole density of c‐BN enhances with the increase of MoO3 molecule density and reaches the maximum (1.24 × 1014 cm−2) with MoO3 monolayer adsorption. The optical absorption coefficient significantly increases in the infrared and visible regions. The superior p‐type doping for c‐BN is also achieved by adsorbing transistor metal oxides with the high electron affinity values (such as ReO3, CrO3, WO3, and V2O5). This study opens a novel avenue for promoting c‐BN applied in optoelectronic devices.