Relative<i>K</i>x-ray intensity studies of the valence electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>transition metals

Raj, Satyabrata; Padhi, H. C.; Palit, P.; Basa, D.K; Polasik, M.; Pawłowski, Filip

doi:10.1103/physrevb.65.193105

Cited by 41 publications

(33 citation statements)

References 13 publications

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“…Nevertheless, the use of other X-ray lines still remains significantly unexplored, although it is presently well known that information on the electronic environment of the radiating ion is present therein [3][4][5][6][7] and, furthermore, a proper accounting for the intensity of these other lines may be essential to achieve a correct quantification of all elements present in a sample. Several reasons can justify discrepancies between experimental and theoretical values.…”

Section: Introductionmentioning

confidence: 99%

Dependence of relative intensity of L1 sub-shell X-rays on ion beam energy

Chaves

Reis

Barradas

et al. 2007

Nuclear Instruments and Methods in Physics Research Section B:

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Section: Introductionmentioning

confidence: 99%

Dependence of relative intensity of L1 sub-shell X-rays on ion beam energy

Chaves

Reis

Barradas

et al. 2007

Nuclear Instruments and Methods in Physics Research Section B:

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“…The studies intended to extract the information about the electronic structure in atomic cores in different chemical compounds from the XES data are performed, in particular, in Refs. [27][28][29]. The authors estimate the 3d shell occupancies in various metals by comparing the measured Kβ to Kα x-ray intensity ratios to the results of atomic multiconfiguration Dirac-Fock computations.…”

Section: Motivationmentioning

confidence: 99%

Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores

2014

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We propose an approach for describing the effective electronic states of "atoms in compounds" to study the properties of molecules and condensed matter which are circumscribed by the operators heavily concentrated in atomic cores. Among the properties are hyperfine structure, space parity (P) and time reversal invariance (T) nonconservation effects, chemical shifts of x-ray emission lines (XES), Mössbauer effect, etc. An advantage of the approach is that a good quantitative agreement of predicted and experimental data can be attained even for such difficult cases as XES chemical shifts providing correct quantum-mechanical interpretation of the experimental data. From the computational point of view the method can be quite efficient being implemented in the framework of the relativistic pseudopotential theory [A. V. Titov and N. S. Mosyagin Int.J. Quantum Chem. 71, 359 (1999)] and procedures of recovering the wave functions in heavy-atom cores [A. V. Titov, N. S. Mosyagin, A. N. Petrov, and T. A. Isaev, ibid. 104, 223 (2005)] after a molecular, cluster or periodic structure calculation performed on the basis of pseudoorbitals smoothed near the nuclei within the pseudopotential approximation. We report results of our studies of a number of atomic and molecular systems to demonstrate the capabilities of the approach.

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“…It was qualitatively shown for a range of Ti, Cr, Mn, and Fe oxide compounds ͓16,51,52͔ that the K␤Љ intensity increases with an increase in the oxidation number of a transition metal atom. Asada et al ͓53͔ measured K␤ 2,5 intensities for a range of oxide compounds of 3d transition metals, including vanadium and VO, V 2 O 3 , V 2 O 4 , and V 2 O 5 . Simple peak intensity ratios of K␤ 2,5 / K␤ 1,3 extracted from the measured spectra without fitting were reported to vary from 4.56% to 5.5% with an increasing oxidation number from 2 to 5.…”

Section: B K␤љ and K␤ 25 X-ray Linesmentioning

confidence: 99%

Chemical dependence of second-order radiative contributions in theKβx-ray spectra of vanadium and its compounds

et al. 2006

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K␤ x-ray spectra of metallic vanadium and its compounds ͑V 2 O 3 , VO 2 , V 2 O 5 , VC, VN, VCl 2 , NH 4 VO 3 , and VOSO 4 ϫ 5H 2 O͒ induced in thick targets by 3 MeV proton beams were measured by using wavelength dispersive ͑WD͒ x-ray spectrometer. In addition to the main K␤ 1,3 x-ray line, "satellites" or second order contributions like K␤Ј, K␤Љ, K␤ٞ, and K␤ 2,5 were clearly resolved. Intensities and positions of these lines relative to the K␤ 1,3 x-ray line have been extracted by fitting the spectra and corrected for x-ray sample self-absorption. The influence of the oxidation states and vanadium-ligand bond distances in studied compounds on relative intensities and positions of K␤Љ, K␤ 2,5 , and ͑K␤Љ + K␤ 2,5 ͒ x-ray lines ͑relative to K␤ 1,3 + K␤Ј͒ has been studied and discussed. The obtained results indicate that the strength of the K␤Љ and K␤ 2,5 transition probability per vanadium-ligand pair decreases exponentially with increasing vanadium-ligand distance, in agreement with the observation reported by Bergman et al. for K␤Љ relative intensity in a number of Mn oxide compounds ͓U.

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RelativeKx-ray intensity studies of the valence electronic structure of3dtransition metals

Cited by 41 publications

References 13 publications

Dependence of relative intensity of L1 sub-shell X-rays on ion beam energy

Dependence of relative intensity of L1 sub-shell X-rays on ion beam energy

Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores

Chemical dependence of second-order radiative contributions in theKβx-ray spectra of vanadium and its compounds

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