Journal
PHYSICAL REVIEW E
Volume 86, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.86.046702
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Funding
- Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco [APQ-1352-1.05/10, BIC-1139-1.05/11]
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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.
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