Layered palladates and their relation to nickelates and cuprates

Abstract

We explore the layered palladium oxides La${}_2$PdO${}_4$, LaPdO${}_2$ and La${}_4$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. Hypothetical LaPdO${}_2$, despite its $d^9$ configuration, has a paramagnetic electronic structure very different from cuprates. On the other hand, the hypothetical trilayer compound La${}_4$Pd${}_3$O${}_8$ ($d^{8.67}$) is more promising in that its paramagnetic electronic structure is very similar to that of overdoped cuprates. But even in the $d^9$ limit (achieved by partial substitution of La with a 4+ ion), we find that an antiferromagnetic insulating state cannot be stabilized due to the less correlated nature of Pd ions. Therefore, this material, if it could be synthesized, would provide an ideal platform for testing the validity of magnetic theories for high-temperature superconductivity.

References in corpus (12)

• A Common Thread: the pairing interaction for the unconventional superconductors
• Effective Coulomb interaction in transition metals from constrained random-phase approximation
• Infinite Layer LaNiO(2): Ni(1+)is not Cu(2+)
• The properties of ultrapure delafossite metals
• Mimicking cuprates: large orbital polarization in a metallic square-planar nickelate
• High-Tc Superconductivity and Antiferromagnetism in Multilayered Copper Oxides - A New Paradigm of Superconducting Mechanism -
• Stacked Charge Stripes in Quasi-Two_Dimensional Trilayer Nickelate La4Ni3O8
• Materials Design for New Superconductors
• Pseudogap of metallic layered nickelate R2-xSrxNiO4 (R=Nd, Eu) crystals measured using angle-resolved photoemission spectroscopy
• Charge ordering in Ni${}^{1+}$/Ni${}^{2+}$ nickelates: La${}_4$Ni${}_3$O${}_8$ and La${}_3$Ni${}_2$O${}_6$
• Electron doped layered nickelates: spanning the phase diagram of the cuprates
• Thermoelectric properties of the layered Pd oxide R_2PdO_4 (R = La, Nd, Sm and Gd)

Cited by in corpus (12)

• Similarities and differences between infinite-layer nickelates and cuprates and implications for superconductivity
• Nickelate superconductors -- a renaissance of the one-band Hubbard model
• Doping evolution of the Mott-Hubbard landscape in infinite-layer nickelates
• Many-body Electronic Structure of NdNiO${}_2$ and CaCuO${}_2$
• Superconductivity in infinite-layer nickelates
• Materials design of dynamically stable $d^9$ layered nickelates
• Optimizing superconductivity: from cuprates via nickelates to palladates
• Comparative Many-Body Study of Pr${}_4$Ni${}_3$O${}_8$ and NdNiO${}_2$
• Spin excitations in nickelate superconductors
• Classifying superconductivity in an infinite-layer nickelate Nd${}_{0.8}$Sr${}_{0.2}$NiO${}_2$
• Controlling Orbital Ordering of Intergrowth Structures with Flat [Ag(II)F2] Layers to Mimic Oxocuprates(II)
• $L{a}_{3}P{d}_{2}Na{O}_9$: A High-Valent Insulating Palladate