Theoretical investigation of the Auger spectra of Mg in different local atomic environments part 1. Magnesium and aluminium

Spin polarized Fe L 3 M 2,3 M 2,3 and L 3 M 2,3 V Auger-electron spectra were measured and calculated using on-resonance excitation energies of linearly polarized photons ͑at the 2p 3/2 threshold͒ as well as in the offresonance region. Both the intensity distribution and the spin polarization in the experimentally obtained Auger spectra are explained by means of the theoretical model taking into account spin-orbit splitting of core levels and exchange interaction of the core states with the polarized valence band. Different contributions to the Auger spin polarization of both CCC ͑Fe L 3 M 2,3 M 2,3 ) and CCV ͑Fe L 3 M 2,3 V) Auger spectra are discussed. Auger electron spin polarization is positive by transitions to the singlet final two-hole states and is increased with increasing core state-valence state exchange interaction, whereas for the triplet final states the opposite behavior is found.

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“…For the calculation of the local electronic structure of atoms with a core hole the LMTO Green function method has been used. 36,37 …”

Section: ͑1͒mentioning

confidence: 99%

Spin-resolved FeL3M2,3M2,3

Kucherenko¹,

Sinković

Shekel

et al. 2000

Phys. Rev. B

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“…An analysis of KLV matrix elements shows that the KI,2,3 V lineshape will be dominated by Dl (E) with only a small contribution from Dl (E) while the KLI V lineshape will receive approximately equal contribu-tions from D;(E) and Dl (E) and thus show a double peak. Von Barth and Grossman's analysis [105] provided a good understanding of the KLV spectra of Na which has since been confirmed by detailed theoretical studies for the simple metals Mg and AI [110][111][112].…”

Section: Introductionmentioning

confidence: 91%

The Development of Auger Spectroscopy as a Probe of Local Electronic Structure

Weightman

1995

Microsc. Microanal. Microstruct.

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Abstract. 2014 This review is concerned with the development of Auger spectroscopy as a probe of local electronic structure. The contribution that CCC, CCV and CVV Auger transitions can make to the study of electronic structure is reviewed and the appropriate theoretical context for the interpretation of the spectra produced by each process is discussed. It is shown how Auger spectroscopy can yield insight into on-site electron correlation, charge transfer and electron screening in a variety of systems and can be used to develop potential models that give rise to a new scale of electronegativity. Studies of particular transitions reveal the local electron configuration and the shape of the local density of states in the vicinity of a core-ionised site. Auger profiles are sensitive to the hybridisation between d bands and sp bands and to the localisation of screening charge. The recent development of high performance instruments and of sophisticated theoretical techniques is allowing Auger spectroscopy to reach its full potential as a probe of local electronic structure.

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Electronic structure calculation of Mg, Si, P, S, and Cl impurities in aluminium

Thiagarajan

Iyakutti

Palaniyandi

1994

Physica Status Solidi (b)

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A fully self-consistent calculation using the multiple scattering X, method is used to study the electronic structure, the relation between charge transfer and electronegativity, the bonding characteristics, and the alloying of Mg with Al. The present investigation indicates that the charge transfer from the host A1 atoms to the central impurity atom increases with the increase of electronegativity of impurity atoms. It is found that the bonding is metallic for AlLMg and for the othcr impurities considered it gradually becomes ionic. The alloying of Mg with A1 is more favourable than with other impurities. The results are compared with the available experimental and theoretical data.

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Theoretical investigation of the Auger spectra of Mg in different local atomic environments part 1. Magnesium and aluminium

Cited by 9 publications

References 13 publications

Spin-resolved FeL3M2,3M2,3

Spin-resolved FeL3M2,3M2,3

The Development of Auger Spectroscopy as a Probe of Local Electronic Structure

Electronic structure calculation of Mg, Si, P, S, and Cl impurities in aluminium

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