Theoretical approach to the magnetostructural correlations in the spin-Peierls compound
Open Access
- 1 January 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 61 (1) , 54-57
- https://doi.org/10.1103/physrevb.61.54
Abstract
A theoretical density-functional study has been carried out to analyze the exchange coupling in the chains of using discrete models. The results show a good agreement with the experimental exchange coupling constant together with a strong dependence of J with the Cu-O-Cu angle. The calculation of the J values for a distorted model indicates a larger degree of dimerization than those reported previously.
Keywords
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