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Article: Intermediate spin state stabilized by the Jahn-Teller distortion in La1/2Ba1/2CoO3
Title | Intermediate spin state stabilized by the Jahn-Teller distortion in La1/2Ba1/2CoO3 |
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Authors | |
Keywords | Physics |
Issue Date | 2002 |
Publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ |
Citation | Physical Review B (Condensed Matter), 2002, v. 66 n. 6, article no. 064406 How to Cite? |
Abstract | The 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 Identifier | http://hdl.handle.net/10722/43363 |
ISSN | |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
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dc.contributor.author | Wang, J | en_HK |
dc.contributor.author | Wang, ZD | en_HK |
dc.contributor.author | Zhang, W | en_HK |
dc.contributor.author | Xing, DY | en_HK |
dc.date.accessioned | 2007-03-23T04:44:19Z | - |
dc.date.available | 2007-03-23T04:44:19Z | - |
dc.date.issued | 2002 | en_HK |
dc.identifier.citation | Physical Review B (Condensed Matter), 2002, v. 66 n. 6, article no. 064406 | - |
dc.identifier.issn | 0163-1829 | - |
dc.identifier.uri | http://hdl.handle.net/10722/43363 | - |
dc.description.abstract | The 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.extent | 91267 bytes | - |
dc.format.extent | 45056 bytes | - |
dc.format.mimetype | application/pdf | - |
dc.format.mimetype | application/msword | - |
dc.language | eng | en_HK |
dc.publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ | en_HK |
dc.relation.ispartof | Physical Review B (Condensed Matter) | - |
dc.rights | Copyright 2002 by The American Physical Society. This article is available online at https://doi.org/10.1103/PhysRevB.66.064406 | - |
dc.subject | Physics | en_HK |
dc.title | Intermediate spin state stabilized by the Jahn-Teller distortion in La1/2Ba1/2CoO3 | en_HK |
dc.type | Article | en_HK |
dc.identifier.openurl | http://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+La1/2Ba1/2CoO3 | en_HK |
dc.description.nature | published_or_final_version | en_HK |
dc.identifier.doi | 10.1103/PhysRevB.66.064406 | en_HK |
dc.identifier.scopus | eid_2-s2.0-0036696101 | - |
dc.identifier.hkuros | 74838 | - |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-0036696101&selection=ref&src=s&origin=recordpage | - |
dc.identifier.volume | 66 | - |
dc.identifier.issue | 6 | - |
dc.identifier.spage | article no. 064406 | - |
dc.identifier.epage | article no. 064406 | - |
dc.identifier.isi | WOS:000177911700061 | - |
dc.publisher.place | United States | - |
dc.identifier.scopusauthorid | Wang, J=7701326856 | - |
dc.identifier.scopusauthorid | Wang, ZD=14828459100 | - |
dc.identifier.scopusauthorid | Zhang, W=7409424869 | - |
dc.identifier.scopusauthorid | Xing, DY=7202670397 | - |
dc.identifier.issnl | 0163-1829 | - |