Diamond: electronic ground state of carbon at temperatures approaching 0 K.

@article{Grochala2014DiamondEG,
  title={Diamond: electronic ground state of carbon at temperatures approaching 0 K.},
  author={Wojciech Grochala},
  journal={Angewandte Chemie},
  year={2014},
  volume={53 14},
  pages={
          3680-3
        }
}
  • Wojciech Grochala
  • Published 2014
  • Chemistry, Medicine
  • Angewandte Chemie
  • 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. 

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