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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.
We have revisited the electronic structure of infinite-layer RNiO$_2$ (R= La, Nd) in light of the recent discovery of superconductivity in Sr-doped NdNiO$_2$. From a comparison to their cuprate counterpart CaCuO$_2$, we derive essential facts related
Pr$_4$Ni$_3$O$_8$ is an overdoped analog of hole-doped layered cuprates. Here we show via ab initio calculations that Ce-doped Pr$_4$Ni$_3$O$_8$ (Pr$_3$CeNi$_3$O$_8$) has the same electronic structure as the antiferromagnetic insulating phase of pare
The hallmark of superconductivity is the rigidity of the quantum-mechanical phase of electrons, responsible for superfluid behavior and Meissner effect. The strength of the phase stiffness is set by the Josephson coupling, which is strongly anisotrop
Photoemission spectra of Bi2Sr2CaCu2O8 reveal that the high energy feature near (pi,0), the hump, scales with the superconducting gap and persists above Tc in the pseudogap phase. As the doping decreases, the dispersion of the hump increasingly refle
In order to explore why the multi-layered cuprates have such high Tcs, we have examined various inter-layer processes. Since the inter-layer one-electron hopping has little effects on the band structure, we turn to the inter-layer pair hopping. The s