Electronic structure of Sr2RuO4: X-ray fluorescence emission study

Kurmaev, E. Z. ; Stadler, S. ; Ederer, D. L. ; Harada, Y. ; Shin, S. ; Grush, M. M. ; Callcott, T. A. ; Perera, R. C. C. ; Zatsepin, D. A. ; Ovechkina, N. ; Kasai, M. ; Tokura, Y. ; Takahashi, T. ; Chandrasekaran, K. ; Vijayaraghavan, R. ; Varadaraju, U. V. (1998) Electronic structure of Sr2RuO4: X-ray fluorescence emission study Physical Review B: Condensed Matter and Materials Physics, 57 (3). pp. 1558-1562. ISSN 1098-0121

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Official URL: http://prb.aps.org/abstract/PRB/v57/i3/p1558_1

Related URL: http://dx.doi.org/10.1103/PhysRevB.57.1558

Abstract

The results of measurements of O 1s total X-ray-fluorescence yield and Ru N2,3 and O Kα X-ray fluorescence emission spectra of Sr2RuO4 and Sr2RuO4.25 are presented. An excitation energy dependence of the O Kα X-ray emission spectra (XES) was observed in both compounds. The energy dependence of the spectra is attributed to the excitation of inequivalent O (1) in-plane and O(2) apical oxygens. The O(1) 2p and O(2) 2p density of states distribution in the valence band of Sr2RuO4 was found to be different in accordance with the results of band-structure calculations. O(1) 2p states are found to be mixed with Ru 4d(t2g) states providing the formation of p bonds. While the O Ka XES spectra are in fair agreement with band structure calculations, the theoretical two-peak distribution of Ru N2,3 XES is found to be different with respect to the intensity ratios and widths of the peaks of Ru N2,3 XES. These differences are attributed to a decrease of intensity of radiative 4d-4p transitions in the vicinity of the Fermi level (where the localization of Ru 4d states is higher than at the bottom of the valence band) due to a strong Koster-Kronig transition.

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