Energetics and stability of diamondlike amorphous carbon

Abstract

Simulations of diamondlike amorphous carbon formed by quenching the liquid under high pressure indicate that two distinctly different dense phases exist. The as-quenched phase is metastable and mostly fourfold coordinated. Upon annealing, it converts into a more stable structure with the majority of atoms having threefold coordination. Both structures are consistent with experimental findings. The annealed phase is clearly distinguished from the low-coordinated network of evaporated ±-C.