Ee. Tornau et al., LENGTHS AND CONFIGURATIONS OF O-CU-O CHAINS IN YBA2CU3O6- COMPARISON WITH NMR, NQR, AND EPR EXPERIMENTS(X ), Physical review. B, Condensed matter, 49(22), 1994, pp. 15952-15958
The lengths of the O-Cu-O chains in the basal CuO(x) plane are calcula
ted by the cluster variation method for the orthorhombic phases O(I) a
nd O(II) of YBa2Cu3O6+x. A variation of the interaction constants i pe
rformed in order to obtain the best fit to experiments. The dependence
on x of other quantities is performed in Cu NMR/NQR and Gd EPR experi
ments, such as the monovalent copper count or the EPR line intensities
for different oxygen chain configurations, is obtained. Also, the dep
endence of the amount of the transferred O 2p holes on x is calculated
. The plateau at x > 0.5 is found to be strongly related to the format
ion of chains in the O(II) phase.