title: Diamond: electronic ground state of carbon at temperatures approaching 0 K.
abstract: The relative stability of graphite and diamond is revisited with hybrid density functional theory calculations. The electronic energy of diamond is computed to be more negative by 1.1 kJ mol(-1) than that of graphite at T=0 K and in the absence of external pressure. Graphite gains thermodynamic stability over diamond at 298 K only because of the differences in the zero-point energy, specific heat, and entropy terms for both polymorphs.
authors.affiliation: Centre for New Technologies, University of Warsaw, Żwirki i Wigury 93, 02089 Warsaw (Poland) http://ltnfm.icm.edu.pl. w.grochala@cent.uw.edu.pl.
authors.forename: Wojciech
authors.initials: W
authors.lastname: Grochala
keywords: carbon; density functional calculations; diamond; graphite