Two-Dimensional Oxyhalides for Power Electronics

Oxyhalides form a family of two-dimensional materials with a large bandgap, which makes them interesting for power electronics applications. However, significant research into oxyhalides for use in electronic devices is lacking. Using first principles calculations, we investigate the feasibility of oxyhalides for power transistors. First, we show the crystal structures and the monolayer and bulk band structures of four oxyhalide materials: BiOCl, InOCl, GaOCl and AlOCl. We then evaluate the mobility, stability regions, defect formation energies, and phonon dispersion of BiOCl. Our results indicate that oxyhalides are a promising $n$-type power electronics material, with bulk BiOCl exhibiting a mobility of 101 cm$^{2}$/(Vs) at room temperature. Furthermore, from the thermodynamic stability analysis of the oxyhalides, we show that oxyhalides can be grown at low temperatures ($<\!{400\,}^\circ$C), making them a promising material for back-end-of-line compatible growth. Our findings suggest that oxyhalides are a promising candidate for channel materials in future power electronic devices.

I. Introduction

With the increasing demand for power electronics, enhancing device performance is essential. For example, electric vehicles are requiring 380 V or more for fast charging [1]. On the other hand, electronic circuits used for computations operate at an internal voltage of 1 V, but efficient power delivery to these circuits is critical as data centers are forecasted to consume 2.13% of all global electricity by 2030 [2], [3]. Finally, miniaturization and integration of power electronics often leads to lower cost and a smaller form factor, and lower weight is desired in many mobile applications. Given the growing electrification, improving solid-state power electronics is more important than ever.