Formation of Diamond-Like Phases from Hexagonal and Tetragonal Graphene Layers

Abstract

Structural mutual transformations of graphites and diamond-like phases are studied theoretically using the density functional theory. It is established that the phase transitions of hexagonal graphene to diamond- like phases should occur at uniaxial stresses of ~66–71 GPa, while some diamond-like phases can be obtained from tetragonal graphene at much lower pressures of ~40–52 GPa.