A cellular atomic model for the Mössbauer isomer shift of 197Au in alloys

Miedema, A.R.; Vanderwoude, F

doi:10.1016/0378-4363(80)90001-7

Cited by 82 publications

(32 citation statements)

References 21 publications

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“…Corresponding symbols n a and n b stand for densities of the electrons, the latter treated as non-interacting fermions. Electron density has to be expressed in the units of 4.6 × 10 22 cm −3 [2]. The symbol S b stands for the isomer shift in the pure matrix.…”

Section: Discussion Of Resultsmentioning

confidence: 99%

“…The phenomenological cellular atomic model (CAM) of alloys proposed by Miedema and van der Woude [2,3] could be used to estimate the average isomer shift S M due to impurities, and to estimate contribution to the isomer shift caused by the impurity in the first co-ordination shell ∆S…”

Section: Introductionmentioning

confidence: 99%

“…Usually, one has to collect a series of spectra versus impurity concentration c. On the other hand, one can calculate electron density on the iron nucleus for single impurity -the latter located at various co-ordination shells around resonant atom. Similar calculations could be performed for the spin density, i.e., for the hyperfine field.The phenomenological cellular atomic model (CAM) of alloys proposed by Miedema and van der Woude [2,3] could be used to estimate the average isomer shift S M due to impurities, and to estimate contribution to the isomer shift caused by the impurity in the first co-ordination shell ∆S …”

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confidence: 99%

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Impurity Effect on Charge and Spin Density in α-Fe - Comparison between Cellular Model, Ab Initio Calculations and Experiment

Błachowski

Wdowik

2011

Acta Phys. Pol. A

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The influence of the impurity substituted on the regular site in the BCC α-Fe on charge and spin density on the adjacent iron nuclei has been studied by the ab initio method within framework of the full-potential linearized augmented plane-wave formalism applying density functional theorem. Results were correlated with the phenomenological cellular atomic model of Miedema and van der Woude and with the Mössbauer spectroscopy experimental data. PACS: 75.50.Bb, 76.80.+y 1. Introduction Impurity substituted on the regular iron site within BCC α-Fe has influence on the charge (electron) density and electron spin density (hyperfine field) on the adjacent iron nuclei. One can study these effects by means of the 57 Fe Mössbauer spectroscopy. Namely, the average isomer shift (charge density) and hyperfine field varies with the impurity concentration for random distribution of impurities. Additionally, one can see individual effect of impurities to the second and sometimes to the third co-ordination shell. Hence, the impurity has effect on the average isomer shift S , while individual perturbations to the particular impurity could be described as ∆S n with the index n denoting subsequent co-ordination shells around the resonant atom. Corresponding perturbations of the spin density influence the average hyperfine field B and lead to the individual impurity effects ∆B n [1].Parameters described above could be determined from the Mössbauer spectrum. Usually, one has to collect a series of spectra versus impurity concentration c. On the other hand, one can calculate electron density on the iron nucleus for single impurity -the latter located at various co-ordination shells around resonant atom. Similar calculations could be performed for the spin density, i.e., for the hyperfine field.The phenomenological cellular atomic model (CAM) of alloys proposed by Miedema and van der Woude [2,3] could be used to estimate the average isomer shift S M due to impurities, and to estimate contribution to the isomer shift caused by the impurity in the first co-ordination shell ∆S

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Section: Discussion Of Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

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Impurity Effect on Charge and Spin Density in α-Fe - Comparison between Cellular Model, Ab Initio Calculations and Experiment

Błachowski

Wdowik

2011

Acta Phys. Pol. A

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“…The value of the isomer shift for paramagnetic FeBe 5 or FeBe 2+θ can be explained by the Miedema theory [15][16][17]. According to the Miedema and van der Woude model [16,17], the isomer shift of iron in the binary system Fe-A (A=Be) is…”

Section: Table IImentioning

confidence: 99%

“…According to the Miedema and van der Woude model [16,17], the isomer shift of iron in the binary system Fe-A (A=Be) is…”

Section: Table IImentioning

confidence: 99%

Studies of Be-Fe Compounds Synthesized by Laser Irradiation

Amulevicius¹,

Mažeika²,

Sipavičius³

et al. 2005

Acta Phys. Pol. A

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Electron density and work function dependence of the enthalpy of formation of metal oxides

Pomonis

1985

phys. stat. sol. (a)

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The enthalpies of formation of metal oxides, calculated per oxygen atom, show a dependence on two terms, the work function and the electron density differences between the metal and the oxygen. For the transition metals the first term dominates since the second one seems negligibly small. For non‐transition metals the electron density term seems to affect greatly the corresponding enthalpy of formation.

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A cellular atomic model for the Mössbauer isomer shift of 197Au in alloys

Cited by 82 publications

References 21 publications

Impurity Effect on Charge and Spin Density in α-Fe - Comparison between Cellular Model, Ab Initio Calculations and Experiment

Impurity Effect on Charge and Spin Density in α-Fe - Comparison between Cellular Model, Ab Initio Calculations and Experiment

Studies of Be-Fe Compounds Synthesized by Laser Irradiation

Electron density and work function dependence of the enthalpy of formation of metal oxides

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