Comment on “Increase in specific heat and possible hindered rotation of interstitial C2 molecules in neutron-irradiated graphite”
Latham, CD, Haffenden, GL, Heggie, MI, Suarez-Martinez, I and Ewels, CP (2010) Comment on “Increase in specific heat and possible hindered rotation of interstitial C2 molecules in neutron-irradiated graphite” Physical Review B: Condensed Matter and Materials Physics, 82 (5), 056101.
Available under License : See the attached licence file.
Iwata and Watanabe’s model for the observed low-temperature specific heat of neutron-irradiated graphite [ T. Iwata and M. Watanabe Phys. Rev. B 81 014105 (2010)] assumes that self-interstitial atoms exist as clusters of nearly free C2 molecules. We suggest that their hypothesis is not supported by other experiments and theory, including our own calculations. Not only is it inconsistent with the long-known kinetics of interstitial prismatic dislocation loop formation, density-functional theory shows that the di-interstitial is covalently bonded to the host crystal. In such calculations no prior assumptions are made about the nature of the bonding, covalent or otherwise.
|Divisions :||Faculty of Engineering and Physical Sciences > Chemistry|
|Date :||1 August 2010|
|Identification Number :||10.1103/PhysRevB.82.056101|
|Related URLs :|
|Additional Information :||Copyright 2010 The American Physical Society.|
|Depositing User :||Symplectic Elements|
|Date Deposited :||14 Dec 2012 12:35|
|Last Modified :||23 Sep 2013 19:54|
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