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On the madelung constant of the nonstoichiometric tin dioxide crystal containing conducting electrons
Author(s) -
Horodecki A. J.,
Skowron A.,
Precht W.
Publication year - 1985
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170200513
Subject(s) - madelung constant , tin dioxide , tin , ion , vacancy defect , electron , crystal (programming language) , materials science , condensed matter physics , chemistry , crystal structure , crystallography , lattice energy , physics , metallurgy , quantum mechanics , organic chemistry , computer science , programming language
The nonstoichiometry of the conducting tin dioxide is assumed to be due to the doubly ionized oxygen vacancies. The use of a potential of the type e − r /λ / r for the nearest tin ions surrounding the vacancy results in a dependence of the Madelung constant on the defect concentration that exhibits a soft maximum. Various summation topologies are discussed.