First-principles study on the electronic properties of layered Ga2O3/TeO2 heterolayers for high-performance electronic devices

Abstract

Layered Ga2O3 with high electron mobility and wide bandgap have attracted extensive attention for the applications of optoelectronic and power devices. However, the absence of p-type conducting counterpart restricts its potential. Herein, we propose layered Ga2O3/TeO2 heterolayers to overcome this issue. The structural, electronic properties and carrier mobility of layered Ga2O3/TeO2 heterolayers are investigated by first-principles calculations. All the investigated heterolayers exhibit thermodynamic stability and type-II band alignment characteristic. Both exceptionally high electron and hole mobility are found in the constructed layered Ga2O3/TeO2 heterolayers. For ML Ga2O3/TeO2 heterolayer with AB stacking pattern, the calculated electron and hole mobility can reach 9501 and 11,850 cm2V-1s−1, respectively, which are much superior than pristine ML Ga2O3. The current–voltage curve result of the ML Ga2O3/TeO2 heterolayer channel-based transistor further confirms the enhanced conducting property. Our study applies a new strategy to overcome the p-type conducting issue of layered Ga2O3, and the proposed Ga2O3/TeO2 heterolayers are favorable for high-response detectors and high-frequency power devices.