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Ionic Models for YBa2 Cu3 O7
Published online by Cambridge University Press: 28 February 2011
Abstract
Simple ionic models are applied to YBa2 Cu3 O7. It is found that additional forces are needed to constrain the barium and the planar coordinated copper atoms to be stable in their observed positions. These additional forces are compared to forces calculated from first principles. It is observed that the restoring forces are small for motion of the “in chain” oxygen atoms perpendicular to the chains.
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- Copyright © Materials Research Society 1988