4.7 Article

Madelung energy of Yukawa lattices

期刊

PHYSICAL REVIEW E
卷 86, 期 4, 页码 -

出版社

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.86.046702

关键词

-

资金

  1. Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco [APQ-1352-1.05/10, BIC-1139-1.05/11]

向作者/读者索取更多资源

propose a method to obtain an approximate closed form expression for the Madelung energy (ME) of Yukawa lattices. Such a method is applied for lattices of different topologies and dimensions. The obtained Madelung energies have a satisfactory accuracy for all ranges of the screening parameter. of the Yukawa potential, and it becomes exact in the asymptotic limits kappa -> 0 and kappa -> +8. For instance, for the triangular lattice, the maximum relative error of the ME given by the method is about 0.0047. Also, satisfactory results are obtained for the one- component plasma limit. The Madelung constants of the two-dimensional hexagonal BN and square NaCl and the three-dimensional cubic NaCl crystals are estimated with a relative error of 0.004, 0.006, and 0.03, respectively. Finally, different ways to improve the method are presented and discussed.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据