H. Zhang et al., Calculation of combinative energy between perovskite and rocksalt blocks in YBa2Cu3O7-delta, PHYS REV B, 62(21), 2000, pp. 13907-13910
Based on a block model, separating the unit cell of YBa2Cu3O7-delta into pe
rovskite and rock salt blocks, the combinative energy between the two block
s in the YBa2Cu3O7-delta with the different delta value, from 0.07 to 0.62,
was calculated. A close relationship between the superconducting transitio
n temperature and the combinative energy in YBa2CU3O7-delta is established,
and the change of the combinative energy is closely related to the transfo
rmation from orthorhombic I to II. The results also give a clue to reconsid
er the role of the orthorhombic I and II in YBa2Cu3O7-delta The calculation
of the holes in different planes supplies abundant information about the c
harge distribution in YBa2Cu3O7-delta which may possibly connect the electr
onic phase diagram and the fluctuations of the stripe phase. The results sh
ow that the interaction between the two blocks is of great importance for h
igh T-c superconductivity.