1995
DOI: 10.1103/physrevb.52.11757
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Spin-dependent MnK-edge XANES of MnO andMnF2: Full multiple-scattering analysis

Abstract: We have performed the self-consistent full multiple-scattering analysis of the spin-dependent Mn Kedge XANES (x-ray-absorption near-edge structure) of MnO and MnF2. Our approach is based on successive self-consistent-field spin-polarized calculations of sma11 clusters and full multiple-scattering calculations of XANES within large size clusters. We have considered a cluster of nine shells of surrounding atoms for the MnO case and five shells for the MnF2 case. We have succeeded in calculating the spin-dependen… Show more

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Cited by 31 publications
(28 citation statements)
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“…9a that the non-vanishing intensity apparent in the Kβ′ excitation spectrum is due to the diagonal component, which originates from the main peak of the Kβ1,3 ridge. It should also be mentioned that major features of the obtained dg1s/dw's well correspond to those in the calculated spectra by Soldatov et al 38 These observations demonstrate that the analyses in terms of Eq. (4) are crucially important for correctly determining the spin-selective XAFS.…”
Section: ·1 Lbs Spin-selective Xafssupporting
confidence: 67%
“…9a that the non-vanishing intensity apparent in the Kβ′ excitation spectrum is due to the diagonal component, which originates from the main peak of the Kβ1,3 ridge. It should also be mentioned that major features of the obtained dg1s/dw's well correspond to those in the calculated spectra by Soldatov et al 38 These observations demonstrate that the analyses in terms of Eq. (4) are crucially important for correctly determining the spin-selective XAFS.…”
Section: ·1 Lbs Spin-selective Xafssupporting
confidence: 67%
“…But the complex interference effects of the photoelectron wave (as in the case of Mn XANES [18,191) can also be one of the reasons of the present case. In fact in a recent study of solid Ne where the interatomic distance is even larger we have found a large multiple scattering contribution in the K-edge XANES of neon [23].…”
Section: Discussionmentioning
confidence: 72%
“…1s 2 2p 5 3d 5 ep. Hayashi [4]. Their result shows that the multiplescattering calculations are promising, however, no detailed analysis of the magnetic structures is not undertaken.…”
Section: Introductionmentioning
confidence: 90%