Magnetic EXAFS calculations for disordered alloys

Popescu, Voicu; Ebert, H.; Jenkins, Alec

doi:10.1107/s0909049598017130

Cited by 3 publications

(5 citation statements)

References 10 publications

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“…Again spin-obit coupling has to be incorporated when dealing with magnetic dichroism [30,388,389] or magneto-optics [30,353,356,357]. Some electron spectroscopies, such as EXAFS [102,390,391] or valence band photoemission in the keV regime [70,392,393], require a proper representation of final states at very high energies. The following examples demonstrate that the KKR-GF method indeed fulfils these requirements and provides a reliable and unified description for a wide range of experiments.…”

Section: Spectroscopymentioning

confidence: 99%

“…Right: difference in absorption µ L 2 = µ + L 2 − µ − L 2 for left and right circularly polarized radiation. To allow a better comparison, the spectra are shifted along the vertical axis [103,390].…”

Section: Hyperfine Interactionmentioning

confidence: 99%

“…It therefore can be used to get information on the magnetization around the absorber atom or to complement the structural information supplied by a standard EXAFS experiment using unpolarized radiation. Figure 35 shows the results of a corresponding investigation on the order in an Fe 0.72 Pt 0.28 sample making use of EXAFS and magnetic EXAFS (MEXAFS) at the L 2 -edge of Pt [103,390]. From equation (86) it is obvious that it can be applied straightforwardly to alloys by making use of the CPA [30].…”

Section: Hyperfine Interactionmentioning

confidence: 99%

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Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications

2011

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The modern version of the KKR (Korringa-Kohn-Rostoker) method represents the electronic structure of a system directly and efficiently in terms of its single-particle Green's function (GF). This is in contrast to its original version and many other traditional wave-function-based all-electron band structure methods dealing with periodically ordered solids. Direct access to the GF results in several appealing features. In addition, a wide applicability of the method is achieved by employing multiple scattering theory. The basic ideas behind the resulting KKR-GF method are outlined and the different techniques to deal with the underlying multiple scattering problem are reviewed. Furthermore, various applications of the KKR-GF method are reviewed in some detail to demonstrate the remarkable flexibility of the approach. Special attention is devoted to the numerous developments of the KKR-GF method, that have been contributed in recent years by a number of work groups, in particular in the following fields: embedding schemes for atoms, clusters and surfaces, magnetic response functions and anisotropy, electronic and spin-dependent transport, dynamical mean field theory, various kinds of spectroscopies, as well as first-principles determination of model parameters.

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Section: Spectroscopymentioning

confidence: 99%

Section: Hyperfine Interactionmentioning

confidence: 99%

Section: Hyperfine Interactionmentioning

confidence: 99%

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Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications

2011

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“…Magnetic EXAFS is quite a powerful method for investigating the local magnetic structure, since this method has many advantages over the usual EXAFS technique. Recent measurements of the magnetic EXAFS have been reported for the alloys (Pizzini et al, 1994) and theoretical analyses have been applied to Fe±Co and Fe±Pt alloys (Popescu et al, 1999). Fig.…”

Section: Magnetic Exafs For Ni 076 Mn 024mentioning

confidence: 99%

“…On the other hand, the interpretation of the magnetic EXAFS is clear and direct for the study of the local magnetic structures, although the signal is much smaller than that of magnetic XANES. Recently, some theoretical approaches have been developed for the magnetic EXAFS analyses (Ankdinov & Rehr, 1995;Popescu et al, 1999;Nagamatsu & Fujikawa, 2001). We apply the short-and long-range-order theoretical approaches to the magnetic XAFS analyses for the binary alloy system.…”

Section: Introductionmentioning

confidence: 99%

Magnetic X-ray absorption fine structure for Ni–Mn alloys

Miyanaga¹,

Okazaki²,

Murako³

et al. 2003

J Synchrotron Radiat

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Magnetic X-ray absorption ®ne-structure (XAFS) spectra have been measured for Ni±Mn alloys. The magnetic XAFS in the near-edge region (X-ray absorption near-edge structure, XANES) and X-ray magnetic circular dichroism (XMCD) of the Mn and Ni K-edge for Ni 1Àx Mn x (x = 0.25, 0.24 and 0.20) show that (i) the local magnetic structure around the Mn atom is quite different from that around the Ni atom, and (ii) the peak intensity in the magnetic XANES of the Mn K-edge depends on the magnetization of the sample in contrast to the Ni K-edge. The Mn K-edge magnetic EXAFS (extended XAFS) for Ni 0.76 Mn 0.24 is also measured. The second and fourth peaks in the Fourier transform are observed to be enhanced in comparison with the non-magnetic EXAFS, indicating that the second-and fourthshell Ni atoms are replaced by Mn atoms due to heat treatment (atomic ordering). Semi-relativistic theoretical calculation explains the observed magnetic EXAFS.

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