A re-examination of the induction (crystal field) energy contribution to the relative stabilities of the f.c.c. and h.c.p. rare-gas crystal structures
- 1 November 1976
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 32 (5) , 1269-1277
- https://doi.org/10.1080/00268977600102661
Abstract
A new calculation of the induction (crystal field) energy of the f.c.c. and h.c.p. structures of the rare-gas crystals of neon and argon gives an energy in favour of f.c.c. which is more than sufficient to counter the summed pair-potential which favours h.c.p. Predicted values of (E f.c.c. - E h.c.p.)/E f.c.c. for neon and argon are 0·9 × 10-3 and 1·3 × 10-3 respectively. These values are similar to those that have been obtained for a modified dispersion energy and it is concluded that they should be added to these dispersion energies. Calculations on solid helium show a negligible difference in the induction energy for the two close-packed structures.Keywords
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