Two-Dimensional Borides Discovery

Abstract

A set of rules based on charge transfer principles to create dynamically stable transition metal, lanthanide, and actinide based low-dimensional borides is provided. By employing basic chemical rules based on a charge transfer analysis of metal atoms to electron deficient honeycombed B lattices we predict and describe complex covalent two-dimensional (2D) heterostructures hosting Dirac states. The guidelines are supported with the analysis of first-principles computed phonon spectra. Multilayered borides open a rich playground to explore novel physical properties and new materials.