The electronic structure of the high Tc superconductor, YBa2Cu3O7-δ, determined from highly precise all-electron local density calculations yields a relatively simple highly 2D electronic band structure consisting of two 2D Cu2-O and two 1D Cu1-O bands (one almost empty and one almost full at δ=0, becoming full at δ≥0.1) near EF. Detailed features (multi-peaks) of the density of states (DOS) are correlated with the band structure of the 36 Cu-O band complex. Surprising features include: (i) the low DOS at EF, especially for δ≥0.1 which is much longer than that in La2-xSrxCuO4 - in agreement with experiment - and (ii) a relatively large magnetic Stoner factor.
ASJC Scopus subject areas
- Physics and Astronomy(all)