Novel Boron Nitride Polymorphs with Graphite-Diamond Hybrid Structure

Both boron nitride（BN） and carbon（C） have sp, s^p2 and sp³ hybridization modes, thus resulting in a variety of BN and C polymorphs with similar structures, such as hexagonal BN（h BN） and graphite, cubic BN（c BN）and diamond. Here, five types of BN polymorph structures are proposed theoretically, inspired by the graphitediamond hybrid structures discovered in a recent experiment. These BN polymorphs with graphite-diamond hybrid structures possess excellent mechanical propertie...