Hole density and Tc behaviour in YBa2Cu3O7 - x

The behaviour of the hole number in YBCO systems as a function of the oxygen deficiency x is studied theoretically by calculating the density of electron states for several different superstructures formed by periodic arrangements of the oxygen vacancies. The characteristic features of the electronic properties for chain copper sites with different coordination are pointed out and their relevance in determining the number of carriers for oxygen planes is illustrated. It is shown that the curve of the hole number as a function of x shows plateaus and jumps similar to those found in the Tc versus x curves if the de-oxygenation process takes place by forming fragmented chains. Structures formed by filled and empty chains only give a smooth hole behaviour as a function of the composition. The results of the numerical calculations can be understood by a simple model giving the Fermi energy shift in terms of the concentrations of Cu(1) sites with different coordination. © 1990.