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Updated: May 24, 2026

Accumulation and Analysis of Cuprous Ions in a Copper Sulfate Plating Solution
Published on: March 20, 2019
Ab Initio determination of Cu 3d orbital energies in layered copper oxides
Liviu Hozoi1, Liudmila Siurakshina, Peter Fulde
1Institute for Theoretical Solid State Physics, IFW Dresden, Helmholtzstr. 20, 01069 Dresden, Germany. l.hozoi@ifwdresden.de
Abstract:
It has long been argued that the minimal model to describe the low-energy physics of the high T(c) superconducting cuprates must include copper states of other symmetries besides the canonical [see text] one, in particular the [see text] orbital. Experimental and theoretical estimates of the energy splitting of these states vary widely. With a novel ab initio quantum chemical computational scheme we determine these energies for a range of copper-oxides and -oxychlorides, determine trends with the apical Cu-ligand distances and find excellent agreement with recent Resonant Inelastic X-ray Scattering measurements, available for La(2)CuO(4), Sr(2)CuO(2)Cl(2), and CaCuO(2).
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