M. Li, RELATIONSHIP BETWEEN OXYGEN-CONTENT AND SUPERCONDUCTIVITY OF TL0.5PB0.5SR2CUOY (Y-APPROXIMATE-TO-5), Theoretica Chimica Acta, 94(1), 1996, pp. 1-12
The electronic energy band structures of the Tl0.5Pb0.5Sr2CuOy (y appr
oximate to 5) superconductor were calculated and the effect of the oxy
gen content on its electronic structures was studied in the present pa
per. The results show that the oxygen content has a great influence on
its electronic structures. The moderate oxygen content causes the num
ber of bands near the Fermi surface to increase and results in a sudde
n change in the densities of states at the Fermi level E(f). The influ
ence of the oxygen content on the electronic structures is mainly due
to the peroxide pairs in the unit cell. The lower or higher oxygen con
tent results in the decrease in the number of bands near E(f) and the
densities of states at E(f), which is of no advantage to superconducti
vity.