Rapid calculation of individual ion Madelung constants and their convergence to bulk values

American Journal of Physics

Volumn 78, Issue 1, 2009, Pages 102-105

  Baker, A D ^a,b   Baker, M D ^b  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b UNIVERSITY OF GUELPH   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 73149092343     PISSN: 00029505     EISSN: None     Source Type: Journal    
DOI: 10.1119/1.3243281     Document Type: Article

References (13)

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2. See, for example, C. Kittel, Introduction to Solid State Physics, 5th ed. (Wiley, New York, 1995).
3. M. Gaio and L. Silvestrelli, " Efficient calculation of Madelung constants for cubic crystals.," Phys. Rev. B 0163-1829 79, 012102-1-3 (2009). 10.1103/PhysRevB.79.012102
4. W. A. Harrison, " Simple calculation of Madelung constants.," Phys. Rev. B 0163-1829 73, 212103-1-2 (2006). 10.1103/PhysRevB.73.212103 (Pubitemid 43849212)
5. S. Tyagi, " New series representations to the Madelung constant.," Prog. Theor. Phys. 0033-068X 114, 517-521 (2005). 10.1143/PTP.114.517
6. J. P. Sauer, E. Uglieno, E. Garrone, and V. R. Saunders, " Theoretical study of van der Waals complexes at surface sites in comparison with the experiment.," Chem. Rev. (Washington, D.C.) 0009-2665 94, 2095-2160 (1994). 10.1021/cr00031a014
7. P. P. Ewald, " Die berechnung optischer und elektrostatischer gitterpotentiale.," Ann. Phys. 0003-3804 369, 253-287 (1921). 10.1002/andp.19213690304
8. R. E. Crandall and J. P. Buhler, " Elementary function expansions for Madelung constants.," J. Phys. A 0305-4470 20, 5497-5510 (1987). 10.1088/0305-4470/20/16/024
9. S. Lamba, " Dipolar interaction energy for a system of magnetic nanoparticles.," Phys. Status Solidi B 0370-1972 241, 3022-3028 (2004).
10. R. P. Grosso, J. T. Fermann, and W. J. Vining, " An in-depth look at the Madelung constant for cubic crystal systems.," J. Chem. Educ. 0021-9584 78, 1198-1202 (2002).
11. D. Borwein, J. M. Borwein, and K. F. Taylor, " Convergence of lattice sums and Madelung's constant.," J. Math. Phys. 0022-2488 26, 2999-3009 (1985). 10.1063/1.526675
12. M. D. Baker and A. D. Baker, " Teaching nanochemistry: Madelung constants of nanocrystals.," J. Chem. Educ. 0021-9584 (to be published).
13. A. D. Baker and M. D. Baker, " Madelung constants of nanoparticles and nanosurfaces.," J. Phys. Chem. C 1932-7447 113, 14793-14797 (2009). 10.1021/jp905015u