Polymorphism of bulk boron nitride.

ABSTRACT: Boron nitride (BN) is a material with outstanding technological promise due to its exceptional thermochemical stability, structural, electronic, and thermal conductivity properties, and extreme hardness. Yet, the relative thermodynamic stability of its most common polymorphs (diamond-like cubic and graphite-like hexagonal) has not been resolved satisfactorily because of the crucial role played by kinetic factors in the formation of BN phases at high temperatures and pressures (experiments) and by competing bonding and electrostatic and many-body dispersion forces in BN cohesion (theory). This lack of understanding hampers the development of potential technological applications and challenges the boundaries of fundamental science. Here, we use high-level first-principles theories that corre

SUBMITTER: Cazorla C 

PROVIDER: S-EPMC6357755 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature