Diamond: electronic ground state of carbon at temperatures approaching 0 K
1Centre for New Technologies, University of Warsaw, Żwirki i Wigury 93, 02089 Warsaw (Poland) http://ltnfm.icm.edu.pl. w.grochala@cent.uw.edu.pl.
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.
More Related Videos
13:09Assessment of Boron Doped Diamond Electrode Quality and Application to In Situ Modification of Local pH by Water Electrolysis
Published on: January 6, 2016
09:20Fabrication of Low Temperature Carbon Nanotube Vertical Interconnects Compatible with Semiconductor Technology
Published on: December 7, 2015
Related Concept Videos
Network Covalent Solids
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Heat Capacities of an Ideal Gas III
Phase Diagrams
Superconductor
Atomic Nuclei: Nuclear Spin State Population Distribution
Atomic Spectroscopy: Effects of Temperature
At thermal equilibrium, the relative populations of excited and ground state atoms can be estimated using the Maxwell–Boltzmann distribution. For example, an increase in temperature...
