X-ray absorption near edge structure and first-principles spectral investigations of cationic disorder in MgAl2O4 induced by swift heavy ions

Cationic disorder in the MgAl 2 O 4 spinel induced by swift heavy ions was investigated using the X-ray absorption near edge structure. With changes in the irradiation fluences of 200 MeV Xe ions, the Mg K-edge and Al K-edge spectra were synchronously changed. The calculated spectra based on density...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2018-02, Vol.2 (7), p.4962-4969
Main Authors: Yoshioka, S, Tsuruta, K, Yamamoto, T, Yasuda, K, Matsumura, S, Ishikawa, N, Kobayashi, E
Format: Article
Language:English
Subjects:
Absorption
Aluminum
Cations
Density functional theory
First principles
Heavy ions
Ion irradiation
Magnesium
Phosphates
Spectra
X-rays
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Summary:Cationic disorder in the MgAl 2 O 4 spinel induced by swift heavy ions was investigated using the X-ray absorption near edge structure. With changes in the irradiation fluences of 200 MeV Xe ions, the Mg K-edge and Al K-edge spectra were synchronously changed. The calculated spectra based on density function theory indicate that the change in the experimental spectra was due to cationic disorder between Mg in tetrahedral sites and Al in octahedral sites. These results suggest a high inversion degree to an extent that the completely random configuration is achieved in MgAl 2 O 4 induced by the high density electronic excitation under swift heavy ion irradiation. Cationic disorder in MgAl 2 O 4 induced by swift heavy ions was quantitatively determined using experimental and theoretical XANES spectra.
ISSN:1463-9076
1463-9084
DOI:10.1039/c7cp07591j