Djl. Hong et Dm. Smyth, STRESS AND CHARGE IMBALANCES IN SUPERCONDUCTING CUPRATES, Journal of physics and chemistry of solids, 55(12), 1994, pp. 1405-1413
La2CuO4 and Nd2CuO4 have layered structures, with alternating perovski
te and NaCl layers in the former, and alternating perovskite and fluor
ite layers in the latter. Because of bond length mismatches, the perov
skite layers in La2CuO4 are in compression relative to the NaCl layers
, while in Nd2CuO4 the perovskite layers are in tension. There are als
o charge imbalances between the alternating layers that are in the opp
osite sense in the two compounds. The compounds differ in their prefer
red direction of nonstoichiometry, the solubility of aliovalent impuri
ties, and the electrical properties of the doped materials in the norm
al state, and these differences are correlated with the relief of the
imbalances in stress and charge between the alternating layers. It is
shown that as a result, the enthalpy of oxidation of acceptor-doped La
2CuO4 increases with increasing acceptor concentration, and this resul
ts in a maximum in the hole concentration in the oxidized material as
a function of acceptor concentration.