Structure of dense shock-melted alkali halides: Evidence for a continuous pressure-induced structural transition in the melt
- 1 February 1985
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 31 (3), 1463-1468
- https://doi.org/10.1103/physrevb.31.1463
Abstract
Hypernetted-chain equation calculations have been made for the ion-ion pair distribution functions in shock-melted CsI, CsBr, KBr, KCl, NaCl, and LiF. The results show that the melt undergoes a gradual pressure-induced structural change from an open NaCl-like structure with six nearest neighbors of opposite charge to one that has a rare-gas close-packed-like arrangement containing about 12 neighbors of mixed charge. These effects are most pronounced for the larger ions in which the short-range repulsions are stronger relative to long-range Coulomb attractions.Keywords
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