000005600 001__ 5600
000005600 005__ 20230426083011.0
000005600 0247_ $$2DOI$$a10.1103/PhysRevB.80.081105
000005600 0247_ $$2WOS$$aWOS:000269639300005
000005600 0247_ $$2Handle$$a2128/11033
000005600 037__ $$aPreJuSER-5600
000005600 041__ $$aeng
000005600 082__ $$a530
000005600 084__ $$2WoS$$aPhysics, Condensed Matter
000005600 1001_ $$0P:(DE-HGF)0$$aWu, H.$$b0
000005600 245__ $$aSpin and orbital states in La1.5 Sr0.5 CoO4 studied by electronic structure calculations
000005600 260__ $$aCollege Park, Md.$$bAPS$$c2009
000005600 300__ $$a081105
000005600 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000005600 3367_ $$2DataCite$$aOutput Types/Journal article
000005600 3367_ $$00$$2EndNote$$aJournal Article
000005600 3367_ $$2BibTeX$$aARTICLE
000005600 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000005600 3367_ $$2DRIVER$$aarticle
000005600 440_0 $$04919$$aPhysical Review B$$v80$$x1098-0121$$y8
000005600 500__ $$aThis work was supported by the Deutsche Forschungsgemeinschaft through SFB 608.
000005600 520__ $$aElectronic structure of the layered perovskite La1.5Sr0.5CoO4 with a checkerboard Co2+/Co3+ charge order is studied, using the local-spin-density approximation plus Hubbard U calculations including also the spin-orbit coupling and multiplet effect. Our results show that the Co2+ ion is in a high spin state (HS, t(2g)(5)e(g)(2)) and Co3+ low spin state (LS, t(2g)(6)). Due to a small Co2+ t(2g) crystal field splitting, the spin-orbit interaction produces an orbital moment of 0.26 mu(B) and accounts for the observed easy in-plane magnetism. Moreover, we find that the Co3+ intermediate spin state (IS, t(2g)(5)e(g)(1)) has a multiplet splitting of several tenths of eV and the lowest-lying one is still higher than the LS ground state by 120 meV, and that the Co3+ HS state (t(2g)(4)e(g)(2)) is more unstable by 310 meV. Either the IS or HS Co3+ ions would give rise to a wrong magnetic order and anisotropy.
000005600 536__ $$0G:(DE-Juel1)FUEK412$$2G:(DE-HGF)$$aGrundlagen für zukünftige Informationstechnologien$$cP42$$x0
000005600 542__ $$2Crossref$$i2009-08-26$$uhttp://link.aps.org/licenses/aps-default-license
000005600 588__ $$aDataset connected to Web of Science
000005600 65320 $$2Author$$aband structure
000005600 65320 $$2Author$$adensity functional theory
000005600 65320 $$2Author$$aground states
000005600 65320 $$2Author$$aHubbard model
000005600 65320 $$2Author$$alanthanum compounds
000005600 65320 $$2Author$$amagnetic anisotropy
000005600 65320 $$2Author$$aspin-orbit interactions
000005600 65320 $$2Author$$astrontium compounds
000005600 650_7 $$2WoSType$$aJ
000005600 7001_ $$0P:(DE-Juel1)130579$$aBurnus, T.$$b1$$uFZJ
000005600 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.80.081105$$bAmerican Physical Society (APS)$$d2009-08-26$$n8$$p081105$$tPhysical Review B$$v80$$x1098-0121$$y2009
000005600 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.80.081105$$gVol. 80, p. 081105$$n8$$p081105$$q80<081105$$tPhysical review / B$$v80$$x1098-0121$$y2009
000005600 8567_ $$uhttp://dx.doi.org/10.1103/PhysRevB.80.081105
000005600 8564_ $$uhttps://juser.fz-juelich.de/record/5600/files/PhysRevB.80.081105.pdf$$yOpenAccess
000005600 8564_ $$uhttps://juser.fz-juelich.de/record/5600/files/PhysRevB.80.081105.gif?subformat=icon$$xicon$$yOpenAccess
000005600 8564_ $$uhttps://juser.fz-juelich.de/record/5600/files/PhysRevB.80.081105.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000005600 8564_ $$uhttps://juser.fz-juelich.de/record/5600/files/PhysRevB.80.081105.jpg?subformat=icon-700$$xicon-700$$yOpenAccess
000005600 8564_ $$uhttps://juser.fz-juelich.de/record/5600/files/PhysRevB.80.081105.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000005600 909CO $$ooai:juser.fz-juelich.de:5600$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000005600 9141_ $$y2009
000005600 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Agreement
000005600 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000005600 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000005600 9131_ $$0G:(DE-Juel1)FUEK412$$aDE-HGF$$bSchlüsseltechnologien$$kP42$$lGrundlagen für zukünftige Informationstechnologien (FIT)$$vGrundlagen für zukünftige Informationstechnologien$$x0
000005600 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$gIAS$$kIAS-1$$lQuanten-Theorie der Materialien$$x1$$zIFF-1
000005600 9201_ $$0I:(DE-Juel1)VDB781$$d31.12.2010$$gIFF$$kIFF-1$$lQuanten-Theorie der Materialien$$x0
000005600 9201_ $$0I:(DE-82)080009_20140620$$gJARA$$kJARA-FIT$$lJülich-Aachen Research Alliance - Fundamentals of Future Information Technology$$x2
000005600 970__ $$aVDB:(DE-Juel1)113270
000005600 9801_ $$aFullTexts
000005600 980__ $$aVDB
000005600 980__ $$aConvertedRecord
000005600 980__ $$ajournal
000005600 980__ $$aI:(DE-Juel1)IAS-1-20090406
000005600 980__ $$aI:(DE-Juel1)PGI-1-20110106
000005600 980__ $$aI:(DE-82)080009_20140620
000005600 980__ $$aUNRESTRICTED
000005600 981__ $$aI:(DE-Juel1)PGI-1-20110106
000005600 981__ $$aI:(DE-Juel1)VDB881
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nature01450
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.80.3380
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.56.R12685
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0022-3697(58)90107-0
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.57.10705
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.66.094404
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.67.172401
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.97.176405
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.97.247208
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.54.5309
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.99.047203
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.77.045123
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.79.054409
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.71.024418
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.2828534
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.77.094402
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.79.014430
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.73.134424
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.74.134414
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.75.184443
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/1367-2630/10/2/023018
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0022-3727/41/4/045404
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.78.144108
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.78.180406
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.102.057201
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.102.116401
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.39.2336
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.55.R14725
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.85.4353
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.64.195117
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1143/JPSJ.76.114715
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1143/JPSJ.77.044601
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/12/33/310
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.48.16929
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.58.1201
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.95.186401
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0921-4526(93)90761-T
000005600 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.40.4463