Solid-solid transitions induced by repulsive interactions

被引:36
作者
Hemmer, PC [1 ]
Velasco, E
Mederos, L
Navascués, G
Stell, G
机构
[1] NTNU, Inst Fys, N-7091 Trondheim, Norway
[2] Univ Autonoma Madrid, Dept Fis Teor Mat Condensada, E-28049 Madrid, Spain
[3] CSIC, Inst Ciencia Mat Madrid, E-28049 Madrid, Spain
[4] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA
关键词
D O I
10.1063/1.1321040
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We show that a rich variety of crystalline structures, and a corresponding diversity of the associated phase diagrams, result from the presence in the pair potential of a soft repulsion in addition to a hard core. We use different forms for the soft repulsion, and show that the results are sensitive to the details of the potentials (in particular, their convexity) even if the range of the soft repulsion is limited to a small fraction of the hard-core diameter. Our demonstration combines exact ground-state analysis with first-order perturbation theory at finite temperatures. The relevance of our work to certain features found in real systems is also discussed. (C) 2001 American Institute of Physics.
引用
收藏
页码:2268 / 2275
页数:8
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