Ab-initio description of hole localization and Zhang-Rice singlets in one-dimensional doped cuprates

Simple item page
dc.creatorFilippetti, Alessio
dc.creatorFiorentini, Vincenzo
dc.date2008-03-04
dc.date.accessioned2026-07-07T09:24:34Z
dc.date.available2026-07-07T09:24:34Z
dc.descriptionWe present the first ab-initio band-theory-based description of spin-compensated polarons (known as Zhang-Rice singlets) in a hole-doped cuprate, specifically one-dimensional Ca_{2+x} Y_{2-x} Cu_5 O_10. Zhang-Rice singlets are many-particle configurations relevant to the exotic behavior of hole-doped cuprates, stemming from spontaneous charge localization. They appear in our case-study material above a threshold doping, successively turning the insulating undoped antiferromagnet into a gap insulator, a singlet-rich metallic paramagnet, and finally, a singlet-saturated insulating diamagnet.
dc.description4 pages, 6 figures, submitted to PRL
dc.identifierhttps://arxiv.org/abs/0803.0440
dc.identifierhttp://arxiv.org/abs/0803.0440
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/156141
dc.subjectStrongly Correlated Electrons
dc.subjectMaterials Science
dc.titleAb-initio description of hole localization and Zhang-Rice singlets in one-dimensional doped cuprates
dc.typetext

Files

Collections

arXiv