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, Shu-Chih; Lee, Jenn-Min; Chen, Shin-Ann; Lu, Kueih-Tzu; Lin, Pao-An; Lee, Chih-Hao; Lee, Ming-Tao; Pi, Tun-Wen; Hu, Zhiwei; Chen, Jin-Ming

doi:10.1063/1.4871114

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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

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Hu, Zhiwei
Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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引用

Haw, S.-C., Lee, J.-M., Chen, S.-A., Lu, K.-T., Lin, P.-A., Lee, C.-H., Lee, M.-T., Pi, T.-W., Hu, Z., & Chen, J.-M. (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):, pp. 1-4. doi:10.1063/1.4871114.

引用: https://hdl.handle.net/11858/00-001M-0000-0019-B9EC-D

要旨

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.