Noncompact crystalline solids in the square-well potential.
We reexamine the phase diagram of the square-well potential, using both theoretical and computer-simulation techniques, for not too short ranges of the potential. The phase diagram turns out to contain a variety of crystalline structures, both compact and, interestingly, also noncompact. The latter result from a large increase in negative energy when pairs of particles come at distances within the interaction range, which more than compensates the entropy loss associated with reduced packing. Transitions between these crystalline structures give rise to a surprisingly rich phase diagram.
Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.
Juan
J
Serrano-Illán
Guillermo
G
Navascués
Enrique
E
Velasco