Dynamic dipolar relaxation in X-ray photoelectron spectra of the Ba4p subshell in barium compounds

Yarzhemsky, V. G.; Teterin, Yu. A.; Sosulnikov, M.I.

doi:10.1016/0368-2048(92)87002-4

Cited by 20 publications

(9 citation statements)

References 17 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Formula ( 14) is a generalization of the non-relativistic formula for Auger decay [50] in the case of intermediate coupling. Note that the first of the 6j-symbols in Formula ( 14) is also present in the non-relativistic formula [43]. It follows from the triangular condition for elements of the first row of this 6j-symbol, that interaction of the initial vacancy is possible only with three terms 1 D J , 3 F J , and 1 G J of the shell 5d −2 .…”

Section: Atoms In Chemical Compoundsmentioning

confidence: 99%

“…The creation of a new of HAXPES (hard x-ray photoelectron spectroscopy) experimental techniques [38,39] caused further development of the theory of many-electron effects in photoionization [40,41]. Similar theoretical approaches were used for the understanding of atomic many-electron effects in photoelectron spectra of atoms in chemical compounds, namely the 3s-spectra of Co [42], the 4p-spectra of Ba [43], the 5p-spectra of Th [44], and U [45].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Satellite Excitations and Final State Interactions in Atomic Photoionization

Yarzhemsky

Teterin

2022

Atoms

View full text Add to dashboard Cite

Satellite excitations and final state configuration interactions appear due to the many-electron correlations and result in a photoelectron spectrum complex final state structure instead of single lines corresponding to one-hole states. In the present work, both processes are considered in a framework of the many-body perturbation theory, and two techniques, namely the spectral function and CI (configuration interaction) methods are considered. It is shown that for the calculation of satellite lineshapes and low-energy Auger decay, the spectral function method is more appropriate, but in the case of strong final state interactions, the methods of solution of Dyson equation or secular matrix are superior. The results obtained for satellites and low energy Auger decay in the Ne 1s, Ne 2p photoelectron spectra, the Co 3s, and the Th 5p photoelectron spectra are in agreement with the experimental data.

show abstract

Section: Atoms In Chemical Compoundsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Satellite Excitations and Final State Interactions in Atomic Photoionization

Yarzhemsky

Teterin

2022

Atoms

View full text Add to dashboard Cite

show abstract

“…The shape of the experimental spectrum is, however, more complex. Since E b (Fe3s)~2E b (Fe3p), additional final state can be formed along with the ground state after emission of the Fe3s electron (dynamic effect [14,15,18]). The following final states of a Fe(III) ion are possible: Fe3s 1 3p 6 3d 5 (single-hole ground state) and Fe3s 2 3p 4 3d 6 (additional two-hole state).…”

Section: Spectra Of Inner Electronsmentioning

confidence: 99%

An XPS study of interaction of neptunyl(V) in aqueous solution with goethite (?-FeOOH)

et al. 2004

View full text Add to dashboard Cite

Sorption and physicochemical state of Np on the goethite (a-FeOOH) surface were studied.The oxidation state of Np on the a-FeOOH surface was studied by the liquid extraction. The neptunium complexes formed on the surface were studied by X-ray photoelectron spectroscopy. The ionic and elemental composition of the goethite surface and NpO 2 + complexes with a-FeOOH were determined from the XPS data.No Np(IV) and Np(VI) compounds were detected. Neptunyl(V) Np(V)O 2 + forms complexes with the surface groups of a-FeOOH. The equatorial plane of these complexes is occupied by the oxygen atoms of a-FeOOH and water and/or carbonate group CO 3 2! .Migration, bioavailability, and hence toxicity of radionuclides depend on their physicochemical state in the environment [1]. The mobility of radionuclides is essentially determined by processes occurring on the mineral3natural water interface (sorption, redox reactions) and types of radionuclide complexes formed on the surface of minerals and suspended particles. Neptunium mainly occurs in nature in the form of neptunyl(V) ion NpO 2 + . This is a linear dioxo cation with the formal charge of +1. Since the electron density on the central atom is low, NpO 2 + is relatively inert chemically and hence readily migrates in the environment. Under these conditions, it can be reduced to Np(IV) or oxidized to Np(VI)O 2Goethite is an abundant iron-containing mineral having high sorption capacity for heavy metal ions and radionuclides [335]. In this work we studied sorption of Np(V)O 2 + on the goethite (a-FeOOH) surface and the surface complexes of neptunyl(V) by both liquid3liquid extraction allowing separation of neptunium species in different oxidation states and by X-ray photoelectron spectroscopy (XPS). The latter method is used to determine the physicochemical state of radionuclides in the environment. Reduction of Cr(VI) to Cr(III) on the goethite surface by Fe(II) traces [6] and interaction of uranyl with calcite and diabase [7] were studied by XPS previously. EXPERIMENTALGoethite (a-FeOOH, sample I) was prepared by the procedure in [8]. Fe(NO 3 ) 3 . 9H 2 O (50 g, chemically pure grade) was dissolved in double-distilled water (825 ml). A 2.5 M KOH solution (200 ml) was added. The resulting solution was heated at 60oC for 24 h with continuous stirring. The precipitate was washed several times with double-distilled water and acetone and dried at 40oC for 2 days. For sorption experiments, an a-FeOOH suspension was prepared.Sample II was prepared as follows. A goethite suspension (0.0374 g of sample I with 1.6 0 10 18 nm 2 free surface area of the mineral and 5.2 0 10 36 mol of the sorption centers) was placed in a centrifugation tube, and a supporting electrolyte (0.1 M NaClO 4 ) was added. Then 237 Np(V) was added in an amount corresponding to approximately 10 36 M total Np concentration. The pH was adjusted at 7.2 + 0.2, and the solution was continuously stirred for several days. The mother liquor was separated by centrifugation at 6000 rpm. After that, an aliquot of the mother liq...

show abstract

“…Lundqvist and Wendin (1974) and Wendin and Ohno (1976) have presented computing techniques of photoelectron spectra using the whole spectral weight function built by applying the diagram technique and Green functions. Later on, this technique has been widely applied to interpret a variety of X-ray photoelectron spectra (XPES) (Ohno, 1980a,b;Yarzhemsky et al, 1992;Ohno, 2000aOhno, ,b, 2001.…”

Section: Suites Of Computer Programs For the Calculation Of Atomic St...mentioning

confidence: 99%

“…The effects connected with this configuration mixing look so impressive that they received different 'names' from different authors. As examples, we list the following names: 'semi-Auger transitions' (Cooper and LaVilla, 1970); 'dipolar fluctuations' and 'strong dynamical effects' (Wendin and Ohno, 1976); 'dipole relaxation process' (Verkhovtseva and Pogrebnjak, 1980); 'conjugate shake-up' (Dyall and Larkins, 1982a,b); 'symmetric-exchange-of-symmetry (SEOS) correlations' (Beck and Nicolaides, 1982); 'super-Coster-Kronig fluctuations' (Chen et al, 1985); 'dynamic dipolar relaxation' (Yarzhemsky et al, 1992); 'dynamic dipole polarization of electron shells (DPES)' (Sukhorukov et al, 1991); 'particle-hole interaction' effect (Ohno, 2000a(Ohno, ,b, 2001). In the present paper, we use the term DPES because it reflects the change of the 3p shell orbital angular momentum (its polarization) by the 3s inner vacancy and the fact that the main contribution to the matrix element of the configuration interaction stems from the dipole part of the Coulomb operator.…”

Section: Correlation Satellitesmentioning

confidence: 99%

Many-electron dynamics of atomic processes studied by photon-induced fluorescence spectroscopy

et al. 2019

View full text Add to dashboard Cite

The progress and the chronology in understanding the influence of electron correlations on the electronic structure of atoms and the dynamics of atomic processes is reviewed focusing on benchmark rare-gas atoms. The contributions and the chronological development of Photon-Induced Fluorescence Spectroscopy (PIFS), measuring dispersed-fluorescence emission cross sections upon excitation by single photons provided by monochromatized synchrotron radiation is described. Selected experimental results obtained by complementary techniques are also discussed for comparison. The basic suites of computer programs used for the investigation of the many-electron effects in atoms and the obtained results are analyzed. Special attention is paid to the Configuration Interaction Pauli-Fock approximation with Core Polarization (CIPFCP) method used to interpret the PIFS data.

show abstract

Dynamic dipolar relaxation in X-ray photoelectron spectra of the Ba4p subshell in barium compounds

Cited by 20 publications

References 17 publications

Satellite Excitations and Final State Interactions in Atomic Photoionization

Satellite Excitations and Final State Interactions in Atomic Photoionization

An XPS study of interaction of neptunyl(V) in aqueous solution with goethite (?-FeOOH)

Many-electron dynamics of atomic processes studied by photon-induced fluorescence spectroscopy

Contact Info

Product

Resources

About