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NEXAFS experiment and multiple scattering calculations on KO_2: effects on the π resonance in the solid phase

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Pedio, M. and Wu, Z. Y. and Benfatto, M. and Mascaraque Susunaga, Arantzazu and Michel, E. and Ottaviani, C. and Crotti, C. and Peloi, M. and Zacchigna, M. and Comicioli, C. (2002) NEXAFS experiment and multiple scattering calculations on KO_2: effects on the π resonance in the solid phase. Physical review B, 66 (14). ISSN 0163-1829

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Official URL: http://dx.doi.org/10.1103/PhysRevB.66.144109


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Abstract

The high-energy resolution O K-edge absorption near-edge x-ray absorption fine structure spectrum has been measured for in situ prepared potassium superoxide. The experimental data have been analyzed in detail by multiple scattering calculations using self-consistent field potentials. In particular, the so-called π resonance at the rising edge, which presents a double-peak structure, has been totally resolved and reproduced by the calculations. This analysis indicates that the grown material is arranged in a KO_2 structure with an O-O distance between 1.31 and 1.34 Angstrom. Moreover, the calculation demonstrates both a complete ionic character of the bound between the Oˆ(2-) anion and K atoms and a strong interaction between the anion and solid-state matrices.


Item Type:Article
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© 2002 The American Physical Society.
One of the authors (Z.Y.W.) acknowledges the financial support of the 100-Talent Research Program of the Chinese Academy of Sciences and of the Outstanding Youth Fund (No. 10125523) of the National Natural Science Foundation of China.

Uncontrolled Keywords:Absorption, Spectra, Scheme, Edge
Subjects:Sciences > Physics > Materials
ID Code:28402
Deposited On:17 Feb 2015 09:24
Last Modified:17 Feb 2015 09:24

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