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Study of XANES near Ta-L edges in LiTaO3 through thermal wave, fluorescence and first principles

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Abstract

X-ray absorption near-edge spectra (XANES) of Ta-L2 and L3 edges in LiTaO3 (LTO) crystals are measured by measuring amplitude and phase of thermal waves generated within the LTO crystal, using pyroelectric property of LTO. Thus, LTO crystal is used both as a sample as well as sensor material. XANES of Ta-L edges in LTO are also measured by fluorescence. XANES spectra from fluorescence and first-principles simulations agree excellently well. The onset of the pre-edge region of XANES, measured by both techniques, extends below the edge by about 50 eV. This pre-edge onset of absorption is explained in terms of the core-hole lifetime effect on near-edge absorption using density functional theory. However, detailed nature of XANES peaks near Ta-L3 and Ta-L2 absorption edges, measured by thermal waves and fluorescence, differ. Possible origins of these differences are discussed.

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Acknowledgments

Authors acknowledge help of Dr A. K. Sinha in discussion, Mr. Gangadhar Das, and Mr. Ajay Khooha, during the experiment. Help and interest of Dr S. K. Deb and Dr G. S. Lodha and Dr P. A. Naik are acknowledged in this work.

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Authors and Affiliations

  1. Indus Synchrotrons Utilisation Division, Raja Ramanna Centre for Advanced Technology, Indore, 452013, India

    S. R. Kane, Shailendra Kumar, Haranath Ghosh, Ajit Kumar Singh & M. K. Tiwari

  2. Homi Bhabha National Institute, BARC, Mumbai, 400094, India

    Shailendra Kumar, Haranath Ghosh & M. K. Tiwari

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  1. S. R. Kane
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  2. Shailendra Kumar
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  3. Haranath Ghosh
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Correspondence to S. R. Kane.

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Kane, S.R., Kumar, S., Ghosh, H. et al. Study of XANES near Ta-L edges in LiTaO3 through thermal wave, fluorescence and first principles. Appl. Phys. A 122, 11 (2016). https://doi.org/10.1007/s00339-015-9529-x

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