Order-disorder transition in the solid phase of a charged hard sphere model

被引:51
作者
Bresme, F
Vega, C
Abascal, JLF
机构
[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AY, England
[2] Univ Complutense Madrid, Fac CC Quim, Dept Quim Fis 1, E-28040 Madrid, Spain
关键词
D O I
10.1103/PhysRevLett.85.3217
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We investigate the solid phases of the restricted primitive model (RPM). Monte Carlo simulations show the existence of an order-disorder transition from a substitutionally disordered face centered cubic lattice (fcc) to a new ordered fee structure which is proposed as the ground state of the RPM at the close packing density. Our results suggest that the new phase might turn out in a new triple point in the RPM phase diagram involving three solid phases: CsCl, fee ordered and fee disordered structures. The order-disorder transition is also studied using the cell theory. The theory shows good agreement with the simulation results and suggests that the transition is weakly first order.
引用
收藏
页码:3217 / 3220
页数:4
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