Wu, Hua ORCID: 0000-0003-1280-202X, Chang, C. F., Schumann, O., Hu, Z., Cezar, J. C., Burnus, T., Hollmann, N., Brookes, N. B., Tanaka, A., Braden, M., Tjeng, L. H. and Khomskii, D. I. (2011). Orbital order in La0.5Sr1.5MnO4: Beyond a common local Jahn-Teller picture. Phys. Rev. B, 84 (15). COLLEGE PK: AMER PHYSICAL SOC. ISSN 1098-0121

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Abstract

The standard way to find the orbital occupation of Jahn-Teller (JT) ions is to use structural data, with the assumption of a one-to-one correspondence between the orbital occupation and the associated JT distortion, e. g., in O-6 octahedron. We show, however, that this approach can be incorrect, e. g., for layered systems. Using the layered manganite La0.5Sr1.5MnO4 as an example, we found from our x-ray-absorption measurements and electronic structure calculations that the type of orbital ordering strongly contradicts the standard local distortion approach for the Mn3+O6 octahedra, and that the usually ignored long-range crystal-field effect and anisotropic hopping integrals are actually crucial for determining the orbital occupation.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Wu, HuaUNSPECIFIEDorcid.org/0000-0003-1280-202XUNSPECIFIED
Chang, C. F.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Schumann, O.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Hu, Z.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Cezar, J. C.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Burnus, T.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Hollmann, N.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Brookes, N. B.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Tanaka, A.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Braden, M.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Tjeng, L. H.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Khomskii, D. I.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-487225
DOI: 10.1103/PhysRevB.84.155126
Journal or Publication Title: Phys. Rev. B
Volume: 84
Number: 15
Date: 2011
Publisher: AMER PHYSICAL SOC
Place of Publication: COLLEGE PK
ISSN: 1098-0121
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
TRANSITION-METAL OXIDES; CHARGE; LA1-XSR1+XMNO4; PHOTOEMISSION; MANGANITES; SPINMultiple languages
Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed MatterMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/48722

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