Carbon: The nature of the liquid state

Abstract

The liquid state of carbon at low pressure is investigated wtih a first-principles molecular dynamics simulation. Its controversial electronic properties are elucidated in terms of density of states and conductivity calculations, showing that the system is a metal, in agreement with experiments reported last year. Furthermore, an accurate analysis of the atomic structure indicates that the liquid is composed of two-fold, three-fold, and four-fold coordinated atoms, which display different bonding properties.