J. Freeouf, D.E. Eastman, et al.
Physical Review Letters
The difference in Madelung site potential, VM, between a hole on a copper site and one on an oxygen site can control the holes site preference and ability to delocalize. Among a variety of copper oxide structures, eVM is shown to vary by 3 eV and to clearly separate two classes of compounds: Those with eVM>47 eV are metallic with high Tc and delocalized holes, whereas those with lower "VM are semiconducting because their holes are self-trapped on oxygen. © 1989 The American Physical Society.
J. Freeouf, D.E. Eastman, et al.
Physical Review Letters
A. Amato, R.A. Fisher, et al.
Physica B: Condensed Matter
F. Illas, A. Lorda, et al.
The Journal of Chemical Physics
P. Millán, A. Castro, et al.
Materials Research Bulletin