Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

The structure of the fluid carbon phase in the pressure region of the graphite, diamond, and BC8 solid phase is investigated. We find increasing coordination numbers with an increase in density. From zero to 30GPa, the liquid shows a decrease of packing effciency with increasing temperature. However, for higher pressures, the coordination number increases with increasing temperature. Up to 1.5 eV and independent of the pressure up to 10 Mbar, a double-peak structure in the ion structure factors exists, indicating persisting covalent bonds.