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| Home > Publications database > Spin and orbital states in La1.5 Sr0.5 CoO4 studied by electronic structure calculations > print |
| 001 | 5600 | ||
| 005 | 20230426083011.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevB.80.081105 |2 DOI |
| 024 | 7 | _ | |a WOS:000269639300005 |2 WOS |
| 024 | 7 | _ | |a 2128/11033 |2 Handle |
| 037 | _ | _ | |a PreJuSER-5600 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 530 |
| 084 | _ | _ | |2 WoS |a Physics, Condensed Matter |
| 100 | 1 | _ | |0 P:(DE-HGF)0 |a Wu, H. |b 0 |
| 245 | _ | _ | |a Spin and orbital states in La1.5 Sr0.5 CoO4 studied by electronic structure calculations |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2009 |
| 300 | _ | _ | |a 081105 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |0 4919 |a Physical Review B |v 80 |x 1098-0121 |y 8 |
| 500 | _ | _ | |a This work was supported by the Deutsche Forschungsgemeinschaft through SFB 608. |
| 520 | _ | _ | |a Electronic 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. |
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| 542 | _ | _ | |i 2009-08-26 |2 Crossref |u http://link.aps.org/licenses/aps-default-license |
| 588 | _ | _ | |a Dataset connected to Web of Science |
| 650 | _ | 7 | |2 WoSType |a J |
| 653 | 2 | 0 | |2 Author |a band structure |
| 653 | 2 | 0 | |2 Author |a density functional theory |
| 653 | 2 | 0 | |2 Author |a ground states |
| 653 | 2 | 0 | |2 Author |a Hubbard model |
| 653 | 2 | 0 | |2 Author |a lanthanum compounds |
| 653 | 2 | 0 | |2 Author |a magnetic anisotropy |
| 653 | 2 | 0 | |2 Author |a spin-orbit interactions |
| 653 | 2 | 0 | |2 Author |a strontium compounds |
| 700 | 1 | _ | |0 P:(DE-Juel1)130579 |a Burnus, T. |b 1 |u FZJ |
| 773 | 1 | 8 | |a 10.1103/physrevb.80.081105 |b American Physical Society (APS) |d 2009-08-26 |n 8 |p 081105 |3 journal-article |2 Crossref |t Physical Review B |v 80 |y 2009 |x 1098-0121 |
| 773 | _ | _ | |a 10.1103/PhysRevB.80.081105 |g Vol. 80, p. 081105 |0 PERI:(DE-600)2844160-6 |n 8 |q 80<081105 |p 081105 |t Physical review / B |v 80 |y 2009 |x 1098-0121 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1103/PhysRevB.80.081105 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/5600/files/PhysRevB.80.081105.pdf |y OpenAccess |
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| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/5600/files/PhysRevB.80.081105.pdf?subformat=pdfa |x pdfa |y OpenAccess |
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| 914 | 1 | _ | |y 2009 |
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| 999 | C | 5 | |a 10.1038/nature01450 |9 -- missing cx lookup -- |2 Crossref |
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