Self-and migration energies associated with interstitial carbon and xenon atoms in graphite are calculated, taking account of the relaxation around the interstitials. Assuming that the graphite lattice consists of thin elastic plates held together by the weak interaction forces and subjected to the transverse force by the interstitial atom, the strain form is obtained by solving the equations for the bending plates. Then, employing a suitably chosen interaction potential between the interstitial and all other atoms, the relaxation and the energies associated with the interstitials are calculated. In case of the carbon atom, the self-energy is 2.5 ev, the migration energy 0.016 ev and the ratio of strain energy to the total self-energy 0.49, and in case of xenon, they are 15.1 ev, 0.03 ev and 0.79 respectively.
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Iwata et al. (1961) studied this question.