Ip. Makarova et al., INFLUENCE OF CE DOPING ON THE DISTRIBUTION OF THE ELECTRON-DENSITY INND2-XCEXCUO4-DELTA, Physica. C, Superconductivity, 223(1-2), 1994, pp. 1-13
Nd2-xCexCuO4-delta single crystals have been studied using X-ray diffr
action data. The investigations have been carried out on a non-doped c
rystal of Nd2CuO4 and Ce doped crystals of Nd2-xCexCuO4-delta. From th
e structure parameters obtained, the deformation electron density dist
ribution has been determined. In the Nd2CuO4 specimen this distributio
n shows the peaks of localized 3d(z)2 electrons of the Cu atom, coordi
nated by four O atoms in a square, which complete the Cu polyhedron to
an octahedron. The distinction between the bonding of the O(1) atom i
n the CuO2 plane and the O(2) atom is also observed. In the Nd2-xCe(x)
CuO4-delta specimens the Ce doping causes a change of the valence stat
e of the Cu atom and formation of channels with positive deformation e
lectron density in the crystals.