The Ag M5N45N45 Auger photoelectron coincidence spectra of disordered Ag0.5Pd0.5 alloy

Jiang, Zhong Tao; Thurgate, S.M.; Riessen, Grant van; Wilkie, Peter; Creagh, Christine

doi:10.1016/s0368-2048(03)00038-0

Cited by 13 publications

(5 citation statements)

References 16 publications

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“…It is clear that this effect must be accounted for when using photoelectron energies to select specific local environments, for example, as in Augerphotoelectron coincidence spectroscopy. 20,21 As has been discussed in detail previously 8 the LCM reproduces the ab initio Q-V M properties of disordered alloys rather well, particularly for close-packed systems, and we may conclude that the model offers valid insight into electronic redistribution upon alloy formation. Agreement with ab initio results is semiquantitative for the body-centeredcubic Cu 0.5 Zn 0.5 alloy as summarized in Table I.…”

Section: A Linear Charge Modelsupporting

confidence: 73%

“…It is well known that the separation of initial-state and final-state effects in photoelectron spectroscopy can be aided by combination with the corresponding core Auger spectra, 19 and efforts in this direction have begun. 20,21 The discrepancies between ab initio and LCM predictions are also very much worth pursuing since such models can guide approximations employed in more sophisticated calculations, emphasize the main underlying concepts, and also provide a simple framework for analyzing experimental results. 22 In this context we re-examine the validity of the LCM and investigate the performance of its various generalizations with particular reference to recent computational results.…”

Section: Introductionmentioning

confidence: 99%

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Charge models for electron spectroscopy of disordered alloys

et al. 2009

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Disorder broadening can be observed in the core photoelectron spectra of metallic alloys. This effect can be simulated using a model in which site charges are assumed to be proportional to number of "unlike" atoms in the nearest-neighbor shell. This linear charge model ͑LCM͒ gives a sensible description of the variation in Madelung potential in disordered alloys and is reasonably self-consistent but significantly overestimates core disorder broadening as compared with ab initio core eigenvalue calculations and experimental core-level binding-energy measurements. Two generalizations of the LCM are investigated: an electronegativity model, in which charge is exchanged between unlike nearest neighbors in a nonlinear fashion, and a linear multishell model. Analytical and computational results are presented in each case and the implications for the analysis of core-level photoelectron spectra are discussed.

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Section: A Linear Charge Modelsupporting

confidence: 73%

Section: Introductionmentioning

confidence: 99%

Charge models for electron spectroscopy of disordered alloys

et al. 2009

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“…18 It is important to realize that while it is comparatively easy to estimate the local environment effects directly from calculations as demonstrated above, it is not always straightforward to extract the effect from experimental measurements. Experimental results for the disorder broadening of the Ag M 5 N 4,5 N 4,5 Auger spectra in AgPd was reported by Jiang et al [93]. However, the measurability of the effect was discussed by Ohno [94] and Stoker et al [95].…”

Section: Auger Kinetic Energy and Parameter Shiftmentioning

confidence: 89%

First principle calculations of core-level binding energy and Auger kinetic energy shifts in metallic solids

Olovsson

Marten

Holmström

et al. 2010

Journal of Electron Spectroscopy and Related Phenomena

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We present a brief overview of recent theoretical studies of the core-level binding energy shift (CLS) in solid metallic materials. The focus is on first principles calculations using the complete screening picture, which incorporates the initial (ground state) and final (core-ionized) state contributions of the electron photoemission process in x-ray photoelectron spectroscopy (XPS), all within density functional theory (DFT). Considering substitutionally disordered binary alloys, we demonstrate that on the one hand CLS depend on average conditions, such as volume and overall composition, while on the other hand they are sensitive to the specific local atomic environment. The possibility of employing layer resolved shifts as a tool for characterizing interface quality in fully embedded thin films is also discussed, with examples for CuNi systems. An extension of the complete screening picture to core-core-core Auger transitions is given, and new results for the influence of local environment effects on Auger kinetic energy shifts in fcc AgPd are presented.

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“…It was proposed [15] that we measure the M 4,5 VV Auger line of Ag in Ag 0.5 Pd 0.5 alloy in coincidence with the 3d 5/2 line. Ag 0.5 Pd 0.5 is known The incident radiation was Mg-Kα (not monchromatized) with a line-width of 700 meV.…”

Section: Disorder Broadeningmentioning

confidence: 89%