Madelung energy of Yukawa lattices

作者：Pereira P C N^*; Apolinario S W S

来源：Physical Review E, 2012, 86(4): 046702.

DOI：10.1103/PhysRevE.86.046702

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 -%26gt; 0 and kappa -%26gt; +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.

• 出版日期2012-10-9