Local Spin Density Calculations for the High TCsuperconductors
Journal
Physica Scripta
Journal Volume
1989
Journal Issue
T25
Pages
78-79
Date Issued
1989
Author(s)
Abstract
In this paper we present local spin density (LSD) calculations for La2CuO4 and YBa2Cu3O6. We find both La2CuO4 and YBa2Cu3O6 to be anti-ferro-magnetic semi-metals with a very small of nearly non-existent moment. The value of this moment depends on the Brillouin zone integration sampling and also on the angular momentum expansion of the Cu and O sites in the CuO2 layers. Expanding the Wigner-Seitz spheres by 10% or including the breathing mode failed to make La2CuO4 an anti-ferromagnetic semiconductor.
SDGs
Type
journal article