Plane dimpling and Cu 4s hybridization in YBa_2Cu_3O_x
J. R\"ohler (U K\"oln)
TL;DR
This paper investigates how oxygen doping causes structural distortions in YBa2Cu3O_x, focusing on copper displacements and Cu 4s - 3d hybridizations, to understand their impact on superconductivity.
Contribution
It reveals the specific displacement pattern of copper atoms and links it to doping-dependent Cu 4s - 3d hybridizations in YBa2Cu3O_x.
Findings
Oxygen doping causes copper displacements normal to CuO2 planes.
Displacements are constrained to in-plane axes.
Doping influences Cu 4s - 3d hybridizations.
Abstract
Oxygen doping dimples the CuO_2 planes of YBa_2Cu_3O_{6.8-6.92} by displacing copper normal to the planes and further towards Ba. The correlated oxygen displacements, however, are constrained to the in-plane axes. This displacement pattern is discussed in terms of doping dependent Cu 4s - 3d hybridizations.
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