Theoretical investigation of the volume collapse of CeOFeAs under pressure
(English)Manuscript (preprint) (Other academic)
We conduct a density functional theory study of the high TC superconductor CeOFeAs using the self-interaction corrected local density approximation (LDA-SIC). We find that under compression the compound undergoes a transition from localized to delocalized Ce 4f -states at a pressure close to the experimentally observed point of vanishing superconductivity. This suggests that the observed abruptly vanishing superconductivity under pressure may have its origin in a Mott transition of the 4f electrons of the CeO layer.
IdentifiersURN: urn:nbn:se:uu:diva-109673OAI: oai:DiVA.org:uu-109673DiVA: diva2:273443