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Use of L_III Xanes for the Determination of Atomic Relaxation in Mixed-Valent Materials

Beaurepaire, E. / Malterre, D. / Krill, G. / Godart, C. / Kappler, J. P. / Chevalier, B. / Etourneau, J.

As discussed previously^1,2, the XANES spectra of a mixed-valent (MV) material with fractional occupancy of 4f states n_f can be written in the following way to obtain informations on atomic relaxation : 1\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\chi(\text{E}) = \text{}n_\text{f}\,\chi^\text{n}(\text{E}_\text{n}) + (1-\text{n}_\text{f})\,\chi^{\text{n}-1} (\text{E}_{\text{n}-1})$$\end{document} where χⁿ⁽⁻¹⁾(E_n(−1)) is the contribution from the 4fⁿ⁽⁻¹⁾ configuration. It is obtained from a suitable reference and takes into account by the term E_n(−1) of distances variations and of the energy shift ΔE between the L_III edge of 4fⁿ and 4fⁿ⁻¹ configurations (ΔE ~ 7 ev).d_n(−1) and d^o_n(−l) are the average distances from the RE atoms and neighbouring scatterers that contribute to the XANES signal (mainly light atoms^1,3) in the studied sample (d_n, d_n−1) and in the reference (d^o_n, d^o_n−1). Due to the possibility of relaxation effects, two distances are defined for the studied compounds and the atomic relaxation is written ΔR = d_n – d_n−1•d_n, d_n−1 and ΔR can then be deduced from a fit of χ(E).

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Use of L_III Xanes for the Determination of Atomic Relaxation in Mixed-Valent Materials

Beaurepaire, E. / Malterre, D. / Krill, G. / Godart, C. / Kappler, J. P. / Chevalier, B. / Etourneau, J.

As discussed previously^1,2, the XANES spectra of a mixed-valent (MV) material with fractional occupancy of 4f states n_f can be written in the following way to obtain informations on atomic relaxation : 1\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\chi(\text{E}) = \text{}n_\text{f}\,\chi^\text{n}(\text{E}_\text{n}) + (1-\text{n}_\text{f})\,\chi^{\text{n}-1} (\text{E}_{\text{n}-1})$$\end{document} where χⁿ⁽⁻¹⁾(E_n(−1)) is the contribution from the 4fⁿ⁽⁻¹⁾ configuration. It is obtained from a suitable reference and takes into account by the term E_n(−1) of distances variations and of the energy shift ΔE between the L_III edge of 4fⁿ and 4fⁿ⁻¹ configurations (ΔE ~ 7 ev).d_n(−1) and d^o_n(−l) are the average distances from the RE atoms and neighbouring scatterers that contribute to the XANES signal (mainly light atoms^1,3) in the studied sample (d_n, d_n−1) and in the reference (d^o_n, d^o_n−1). Due to the possibility of relaxation effects, two distances are defined for the studied compounds and the atomic relaxation is written ΔR = d_n – d_n−1•d_n, d_n−1 and ΔR can then be deduced from a fit of χ(E).

Use of L_III Xanes for the Determination of Atomic Relaxation in Mixed-Valent Materials

Beaurepaire, E. / Malterre, D. / Krill, G. / Godart, C. / Kappler, J. P. / Chevalier, B. / Etourneau, J.

As discussed previously^1,2, the XANES spectra of a mixed-valent (MV) material with fractional occupancy of 4f states n_f can be written in the following way to obtain informations on atomic relaxation : 1\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\chi(\text{E}) = \text{}n_\text{f}\,\chi^\text{n}(\text{E}_\text{n}) + (1-\text{n}_\text{f})\,\chi^{\text{n}-1} (\text{E}_{\text{n}-1})$$\end{document} where χⁿ⁽⁻¹⁾(E_n(−1)) is the contribution from the 4fⁿ⁽⁻¹⁾ configuration. It is obtained from a suitable reference and takes into account by the term E_n(−1) of distances variations and of the energy shift ΔE between the L_III edge of 4fⁿ and 4fⁿ⁻¹ configurations (ΔE ~ 7 ev).d_n(−1) and d^o_n(−l) are the average distances from the RE atoms and neighbouring scatterers that contribute to the XANES signal (mainly light atoms^1,3) in the studied sample (d_n, d_n−1) and in the reference (d^o_n, d^o_n−1). Due to the possibility of relaxation effects, two distances are defined for the studied compounds and the atomic relaxation is written ΔR = d_n – d_n−1•d_n, d_n−1 and ΔR can then be deduced from a fit of χ(E).

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Titel:

Use of L_III Xanes for the Determination of Atomic Relaxation in Mixed-Valent Materials

Beteiligte:

Gupta, L. C. (Herausgeber:in) / Malik, S. K. (Herausgeber:in) / Beaurepaire, E. (Autor:in) / Malterre, D. (Autor:in) / Krill, G. (Autor:in) / Godart, C. (Autor:in) / Kappler, J. P. (Autor:in) / Chevalier, B. (Autor:in) / Etourneau, J. (Autor:in)

Erschienen in:

Theoretical and Experimental Aspects of Valence Fluctuations and Heavy Fermions ; Kapitel: 116 ; 667-670

Erscheinungsdatum:

01.01.1987

Format / Umfang:

4 pages

ISBN:

978-1-4613-0947-5 , 978-1-4612-8259-4

DOI:

https://doi.org/10.1007/978-1-4613-0947-5_116

Medientyp:

Aufsatz/Kapitel (Buch)

Format:

Elektronische Ressource

Sprache:

Englisch

Schlagwörter:

XANES Spectrum , EXAFS Data , Valence Transition , Atomic Relaxation , Valence Fluctuation Physics , Classical Electrodynamics , Characterization and Evaluation of Materials , Physics and Astronomy

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