First-Principles Study Of The ABO₃-type Rare-Earth Transition-Metal Oxides

Transition-metal oxides have been attracted much attention for its interesting physical phenomena and rich physical concepts. RNiO3 (R= rare earth) perovskites have regained interest since the discovery of high-temperature superconductivity and giant magnetoresistive effects in other perovskite-related systems. Although the nickelates do not display any of these exotic properties, they are, together with cuprates and manganites, one of the rare families of oxides which show metallic conductivity. Moreover, resistivity measurements have revealed the existence of a very sharp metal-insulator (M-I) transition in the compounds with R≠La. RNiO3 show more abnormal physical properties. Although the properties of RNiO3 have been studied theoretically and...