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We explore the layered palladium oxides La$_2$PdO$_4$, LaPdO$_2$ andLa$_4$Pd$_3$O$_8$ via ab initio calculations. La$_2$PdO$_4$, being low spin$d^8$, is quite different from its high spin nickel analog. HypotheticalLaPdO$_2$, despite its $d^9$ configuration, has a paramagnetic electronicstructure very different from cuprates. On the other hand, the hypotheticaltrilayer compound La$_4$Pd$_3$O$_8$ ($d^{8.67}$) is more promising in that itsparamagnetic electronic structure is very similar to that of overdopedcuprates. But even in the $d^9$ limit (achieved by partial substitution of Lawith a 4+ ion), we find that an antiferromagnetic insulating state cannot bestabilized due to the less correlated nature of Pd ions. Therefore, thismaterial, if it could be synthesized, would provide an ideal platform fortesting the validity of magnetic theories for high-temperaturesuperconductivity.

Layered palladates and their relation to nickelates and cuprates