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Molecular Dynamical Study of ß‐AgI 1− x Cl x
Author(s) -
Ihara S.,
Suzuki K.
Publication year - 1985
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221310108
Subject(s) - ion , conjecture , molecular dynamics , crystallography , physics , materials science , chemistry , mathematics , combinatorics , computational chemistry , quantum mechanics
A molecular dynamics study of ß‐AgI 1−x Cl x is performed with 896 ions. It is shown that the substitution of Cl− ions in ß‐AgI increases the concentration of Frenkel defects. This result is consistent with Shahi and Wagner's conjecture.