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Article: Intermediate spin state stabilized by the Jahn-Teller distortion in La1/2Ba1/2CoO3

TitleIntermediate spin state stabilized by the Jahn-Teller distortion in La1/2Ba1/2CoO3
Authors
KeywordsPhysics
Issue Date2002
PublisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/
Citation
Physical Review B (Condensed Matter and Materials Physics), 2002, v. 66 n. 6, p. 064406:1-5 How to Cite?
AbstractThe recent high-resolution neutron and synchrotron diffraction measurements by Fauth et al. [Phys. Rev. B 65, 060401(R) (2002)] demonstrated the existence of an intermediate spin state in half-doped La1/2Ba1/2CoO3 which is accompanied by a long-range tetragonal Jahn-Teller distortion. In this paper we find that the charge uniform ferromagnetic intermediate spin state strongly couples to the Jahn-Teller effect and is stable only at moderate distortion of 1%. While the calculated magnetic moment of this state is in agreement with the experimentally measured one, the corresponding orbital ordering is the nearest-neighboring alternating d3x2-r2/d3y2-r2, instead of the observed uniform d3z2-r2 orbital ordering. A calculation is carried out using the self-consistent unrestricted Hartree-Fock approximation on a realistic multiband d-p Hubbard Hamiltonian and a generalized Jahn-Teller coupling model, in which all possible spin-, charge-, and orbital-ordered states are considered.
Persistent Identifierhttp://hdl.handle.net/10722/43363
ISSN
2014 Impact Factor: 3.736
2015 SCImago Journal Rankings: 1.933
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorWang, Jen_HK
dc.contributor.authorWang, ZDen_HK
dc.contributor.authorZhang, Wen_HK
dc.contributor.authorXing, DYen_HK
dc.date.accessioned2007-03-23T04:44:19Z-
dc.date.available2007-03-23T04:44:19Z-
dc.date.issued2002en_HK
dc.identifier.citationPhysical Review B (Condensed Matter and Materials Physics), 2002, v. 66 n. 6, p. 064406:1-5en_HK
dc.identifier.issn1098-0121en_HK
dc.identifier.urihttp://hdl.handle.net/10722/43363-
dc.description.abstractThe recent high-resolution neutron and synchrotron diffraction measurements by Fauth et al. [Phys. Rev. B 65, 060401(R) (2002)] demonstrated the existence of an intermediate spin state in half-doped La1/2Ba1/2CoO3 which is accompanied by a long-range tetragonal Jahn-Teller distortion. In this paper we find that the charge uniform ferromagnetic intermediate spin state strongly couples to the Jahn-Teller effect and is stable only at moderate distortion of 1%. While the calculated magnetic moment of this state is in agreement with the experimentally measured one, the corresponding orbital ordering is the nearest-neighboring alternating d3x2-r2/d3y2-r2, instead of the observed uniform d3z2-r2 orbital ordering. A calculation is carried out using the self-consistent unrestricted Hartree-Fock approximation on a realistic multiband d-p Hubbard Hamiltonian and a generalized Jahn-Teller coupling model, in which all possible spin-, charge-, and orbital-ordered states are considered.en_HK
dc.format.extent91267 bytes-
dc.format.extent45056 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.languageengen_HK
dc.publisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/en_HK
dc.rightsPhysical Review B (Condensed Matter and Materials Physics). Copyright © American Physical Society.en_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.subjectPhysicsen_HK
dc.titleIntermediate spin state stabilized by the Jahn-Teller distortion in La1/2Ba1/2CoO3en_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1098-0121&volume=66&issue=6&spage=064406:1&epage=5&date=2002&atitle=Intermediate+spin+state+stabilized+by+the+Jahn-Teller+distortion+in+La1/2Ba1/2CoO3en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1103/PhysRevB.66.064406en_HK
dc.identifier.scopuseid_2-s2.0-0036696101-
dc.identifier.hkuros74838-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0036696101&selection=ref&src=s&origin=recordpage-
dc.identifier.isiWOS:000177911700061-
dc.publisher.placeUnited States-
dc.identifier.scopusauthoridWang, J=7701326856-
dc.identifier.scopusauthoridWang, ZD=14828459100-
dc.identifier.scopusauthoridZhang, W=7409424869-
dc.identifier.scopusauthoridXing, DY=7202670397-

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