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Chemical Precipitation Method for the Synthesis of Nb2O5 Modified Bulk Nickel Catalysts with High Specific Surface Area
Published on: February 19, 2018
Superconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2
Andreas Hausoel1, Simone Di Cataldo2, Motoharu Kitatani3
1Institute for Theoretical Solid State Physics, Leibniz Institute for Solid State and Materials Research Dresden, Dresden, Germany.
Abstract:
Following the successful prediction of the superconducting phase diagram for infinite-layer nickelates, here we calculate the superconducting T c vs. the number of layers n for finite-layer nickelates using the dynamical vertex approximation. To this end, we start with density functional theory, and include local correlations non-perturbatively by dynamical mean-field theory for n = 2-7. For all n, the Ni orbital crosses the Fermi level, but for n > 4 there are additional (π, π) pockets or tubes that slightly enhance the layer-averaged hole doping of the orbitals beyond the leading 1/n contribution stemming from the valence electron count. We finally calculate T c for the single-orbital Hubbard model by dynamical vertex approximation.
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