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  Anisotropic orbital occupation and Jahn-Teller distortion of orthorhombic YMnO3 epitaxial films: A combined experimental and theoretical study on polarization-dependent x-ray absorption spectroscopy

Haw, S.-C., Lee, J.-M., Chen, S.-A., Lu, K.-T., Lin, P.-A., Lee, C.-H., et al. (2014). Anisotropic orbital occupation and Jahn-Teller distortion of orthorhombic YMnO3 epitaxial films: A combined experimental and theoretical study on polarization-dependent x-ray absorption spectroscopy. The Journal of Chemical Physics, 140(15): 154503, pp. 1-4. doi:10.1063/1.4871114.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-B9EC-D Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-B9ED-B
Genre: Journal Article

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 Creators:
Haw, Shu-Chih1, Author
Lee, Jenn-Min1, Author
Chen, Shin-Ann1, Author
Lu, Kueih-Tzu1, Author
Lin, Pao-An1, Author
Lee, Chih-Hao1, Author
Lee, Ming-Tao1, Author
Pi, Tun-Wen1, Author
Hu, Zhiwei2, Author              
Chen, Jin-Ming1, Author
Affiliations:
1external, ou_persistent22              
2Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863461              

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 Abstract: The b-axis oriented orthorhombic YMnO3 (o-YMnO3) epitaxial films on a YAlO3 (010) substrate were fabricated with pulsed-laser deposition. The anisotropic orbital occupation and Jahn-Teller (JT) distortion of an o-YMnO3 film were investigated with polarization-dependent x-ray absorption spectra and configuration-interaction multiplet-cluster calculations. A significant energy difference, similar to 3.8 eV, for the main white line along E//b and E//a in polarization-dependent Mn K-edge spectra of o-YMnO3 indicates an extraordinary JT distortion and significant anisotropic Mn-O bonding within the ab plane in the o-YMnO3 film. Most importantly, although the orbital occupation of 3d electrons in o-YMnO3 films is almost the same as that in single crystalline o-DyMnO3, the JT distortion of o-YMnO3 films is larger than that of single crystalline o-DyMnO3, deduced from the multiplet calculations. We speculate that this JT distortion predominantly contributes to the origin of the cycloidal spin deformation in bulk o-YMnO3, because of a suppressed nearest-neighbor superexchange interaction and an enhanced next-nearest-neighbor superexchange interaction. These complementary results provide insight into the origin of the E-type magnetic configuration of o-YMnO3. (C) 2014 AIP Publishing LLC.

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 Dates: 2014-04-21
 Publication Status: Published in print
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 Identifiers: ISI: 000336045800024
DOI: 10.1063/1.4871114
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Title: The Journal of Chemical Physics
Source Genre: Journal
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Pages: - Volume / Issue: 140 (15) Sequence Number: 154503 Start / End Page: 1 - 4 Identifier: ISSN: 1520-9032
CoNE: /journals/resource/991042752807952