Determination of the electric charge distribution in an amorphous material. II. Evaluation of the Madelung potentials and computation of the electric charges

Journal of Non-Crystalline Solids

Volumn 341, Issue 1-3, 2004, Pages 10-15

  Speranza, G ^a  

^a ITC IRST   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BINDING ENERGY; CHARGE TRANSFER; CHEMICAL BONDS; CRYSTALS; ELECTRIC CHARGE; ELECTRIC POTENTIAL; PARAMETER ESTIMATION; PERTURBATION TECHNIQUES; STOICHIOMETRY; X RAY PHOTOELECTRON SPECTROSCOPY;

ATOMS ELECTRIC CHARGE; ELECTRONEGATIVITY; ELECTRONEGATIVITY EQUALIZATION METHOD (EEM); MADELUNG POTENTIALS;

AMORPHOUS MATERIALS;

EID: 3843053573     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnoncrysol.2004.05.007     Document Type: Article

References (20)

1. Pauling L. The Nature of the Chemical Bond. 1960;Cornell University, Ithaca, USA.
2. Sanderson R.T. Chemical Bonds and Bond Energy. 1976;Academic, New York, USA.
3. Parr R.G., Pearson R.G. J. Am. Chem. Soc. 105:1983;7513.
4. Mortier W.J., Ghosh S.K., Shankar S. J. Am. Chem. Soc. 108:1986;4315.
5. Bertaut F. J. Physique et le Radium. 13:1952;499.
6. Yang W., Mortier W.J. J. Am. Chem. Soc. 108:1986;5708.
7. Van Genechten K.A., Mortier W.J., Geerlings P. J. Chem. Phys. 86(9):1987;5063.
8. Clarke T.A., Rizkalla E.N. Chem. Phys. Lett. 37:1976;523.
9. Pantano C.G., Beall D.M., Cermigani W. Wright A.C., Feller S.A., Hannon A.C. Borate Glasses and Melts. Proceedings of the International Conference on Borate Glasses, Crystals and Melts. 1997;239 The Society of glass Technology, Sheffild.
10. Speranza G., Ferrari M., Bettinelli M. J. Phil. Mag. B. 79(11-13):2000;2145.
11. Harris I.A., Bray Jr., Bray P.J. Phys. Chem. Glasses. 25:1984;69.
12. Massot M., Souto S., Balkanski M. J. NonCryst. Solids. 182:1995;49.
13. Parr R.G., Bartolotti L.J. J. Am. Chem. Soc. 104:1982;3801.
14. Weast R.C., Astle M.J. Handbook of Chemistry and Physics. 1979;CRC, Florida, USA.
15. Mackenzie J.D. Modern Aspects of the Vitreous State. 1960;Butterworths, London, UK.
16. Troger L., Yokohama, Arvanitis T.D., Lederer T., Tischer M., Baberschke K. Phys. Rev. B. 49(2):1994;888.
17. Musinu A., Piccaluga G., Pinna G., Volpe G. J. NonCryst. Solids. 136:1991;198.
18. Kajinami A., Harada Y., Inoue S., Deki S., Umesaki N. Jpn. J. Appl. Phys. 38:1999;132.
19. Gasteiger J., Marsili M. Tetrahedron Lett. 34:1978;3181.
20. Gasteiger J., Marsili M. Tetrahedron. 36:1980;3219.