Two-Dimensional Dielectrics for Future Electronics: Hexagonal Boron Nitride, Oxyhalides, Transition-Metal Nitride Halides, and Beyond

Recent developments in the field of two-dimensional (2D) van der Waals (vdW) dielectrics have captured great interest because of potential applications of 2D materials in future generations of complementary metal-oxide semiconductor (CMOS) technologies. In this Spotlight article, we highlight the progress we recently made toward the discovery of 2D vdW dielectrics, which will be critical to realizing a vdW transistor technology. We provide an overview of how to calculate the dielectric properties of 2D vdW dielectric candidates from first-principles using density functional theory. Furthermore, we show how to quantify the anticipated leakage current through a 2D vdW dielectric. We illustrate the use of hexagonal boron nitride (h-BN), oxyhalides, transition-metal nitride halides (TMNH), and alkaline hydroxides.