Abstract
A quaternary chalcogenide , which consists of [ tetrameric clusters linked by sharing their terminal sulfur atoms to form a quasi-two-dimensional structure, exhibits magnetic properties which can be explained by a model containing no exchange coupling between neighboring clusters. To explain this result we calculated the Coulomb energy of different configurations of and ions. These calculations clearly showed that the lowest energy configurations occurred when the distribution of / ions in each cluster was such that no was magnetically coupled to a in an adjacent cluster through a sulfur bond, in agreement with the magnetic analysis.
- Received 12 November 1996
DOI:https://doi.org/10.1103/PhysRevB.55.11056
©1997 American Physical Society