The present paper studies, using ab-initio calculations, the influence of the incommensurate structural modulations on the low energy physics of the Sr_14−xCa_xCu_24O_41 oxides. On-site, nearest-neighbor and next-nearest-neighbor effective parameters were computed within a t−J+V model based on the copper magnetic orbitals. The structural modulations appear to be the key degree of freedom, responsible for the low energy properties such as the electron localization, the formation of dimers in the x=0 compound or the anti-ferromagnetic order in the x=13.6 compound.
@article{arxiv.cond-mat/0502105,
title = {Charge order in the incommensurate compounds $Sr\_{14-x}Ca\_xCu\_{24}O\_{41}$},
author = {Marie-Bernadette Lepetit and Alain Gellé},
journal= {arXiv preprint arXiv:cond-mat/0502105},
year = {2016}
}