X-rayK-absorption edge interpretation and energy determination

Sinha, Rahul; Mahto, P.; Chetal, A. R.

doi:10.1007/bf01309353

Cited by 7 publications

(9 citation statements)

References 22 publications

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“…[31][32][33][34][35] In particular, it has been found that O 2Ϫ ions are strong backscatterers and the main peaks in the spectrum can be assigned to resonance effects between the excited atom and the oxygen cages ͑shells͒ that surround it. 36 Although these ideas were primarily developed for binary transition-metal oxides, such as NiO, MnO, TiO 2 , etc., the analysis is still applicable to SrTiO 3 .…”

Section: B Analysis Of the Bulk Spectrummentioning

confidence: 99%

Investigation of three-dimensional grain-boundary structures in oxides through multiple-scattering analysis of spatially resolved electron-energy-loss spectra

1998

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Grain boundaries in oxide materials such as electroceramics, ferroelectrics, and high-T c superconductors are known to dominate their overall bulk properties. The critical first step in a fundamental understanding of how they control the properties of the material is a determination of the atomic structure of the boundary. While this determination has traditionally been performed by transmission-electron microscopy, the images that are generated are only a two-dimensional projection of the atomic columns in the grain-boundary core. In addition, as the images are least sensitive to light elements, such as oxygen, the complete three-dimensional boundary structure is particularly difficult to determine. Employing electron-energy-loss spectroscopy in a scanning transmission-electron microscope, it is possible to obtain an oxygen K-edge spectrum that contains information on the three-dimensional electronic structure of the boundary. Using the multiple-scattering methodology, originally developed for x-ray absorption near-edge structure, this can be directly related to the local threedimensional atomic structure. Contained in the spectrum is therefore all of the information needed to investigate the atomic scale structure-property relationships at grain boundaries. The application of the technique is demonstrated here for the 25°͓001͔ symmetric tilt boundary in SrTiO 3 .

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Section: B Analysis Of the Bulk Spectrummentioning

confidence: 99%

Investigation of three-dimensional grain-boundary structures in oxides through multiple-scattering analysis of spatially resolved electron-energy-loss spectra

1998

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“…1,2 A comparative analysis based on ''Natoli's rule,'' connecting peak positions with bond lengths, 18 also supports a oneelectron interpretation of this shoulder. 19 Previous analyses of Cu K-edge XANES of CuO were based on unpolarized spectra. 1,2,19 The same is true for the Cu L 3 edge.…”

Section: Introductionmentioning

confidence: 99%

“…19 Previous analyses of Cu K-edge XANES of CuO were based on unpolarized spectra. 1,2,19 The same is true for the Cu L 3 edge. 6,4,8 A simultaneous analysis of Cu K, Cu L 3 , O K, and BIS spectra of CuO, in terms of quasimolecular resonances, 20 dealt solely with unpolarized spectra.…”

Section: Introductionmentioning

confidence: 99%

Dipole and quadrupole contributions to polarized CuKx-ray absorption near-edge structure spectra of CuO

et al. 2001

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Polarized Cu K x-ray absorption near-edge structure spectra of CuO are measured and analyzed with the aim of extracting quadrupole and dipole partial spectral components. Theoretical spectral components are calculated within the framework of real-space multiple-scattering technique, relying on a non-self-consistent muffintin potential. A local coordinate system xЈyЈzЈ suitable for polarization analysis is defined by the sides of the CuO 4 quasirectangle rather than by directions of the Cu-O bonds. An exclusively quadrupole nature of the prepeak is established both experimentally and theoretically. By analyzing the experimental data, we find that those states which give rise to the prepeak lie within the CuO plane, and have mainly a d x Ј y Ј character. The theory correctly reproduces gross features of the polarized structure generated by dipole transitions, apart from a spurious peak at 8983 eV for the p z Ј component. A partial agreement between theory and experiment in the shoulder region suggests that this structure may arise partly from one-electron states and partly from manybody processes.

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“…The B shoulder energy mean position changes with compression as can be seen in figure 6 (a) and (b). The origin of the B feature is quite controversial and there have been many attempts in the literature to calculate it by means of multiple scattering methods (25,34,(36)(37)(38). Some authors claim that the position of B originates from multiple scattering effects of the photoelectron within the molecular cage defined by the first shell, which supports a one-electron interpretation of this shoulder (37).…”

Section: Electronic Propertiesmentioning

confidence: 99%

“…The origin of the B feature is quite controversial and there have been many attempts in the literature to calculate it by means of multiple scattering methods (25,34,(36)(37)(38). Some authors claim that the position of B originates from multiple scattering effects of the photoelectron within the molecular cage defined by the first shell, which supports a one-electron interpretation of this shoulder (37). Other theoretical studies say that it has a mixed origin: in part it is one electron and in part it is caused by many-body shake-down processes (34), as earlier claimed by several authors (39-41), and more widely accepted nowadays (42,43).…”

Section: Electronic Propertiesmentioning

confidence: 99%

Interplay between local structure, vibrational and electronic properties on CuO under pressure

Cuartero

Monteseguro

Otero-de-la-Roza

et al. 2020

Phys. Chem. Chem. Phys.

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X-rayK-absorption edge interpretation and energy determination

Cited by 7 publications

References 22 publications

Investigation of three-dimensional grain-boundary structures in oxides through multiple-scattering analysis of spatially resolved electron-energy-loss spectra

Investigation of three-dimensional grain-boundary structures in oxides through multiple-scattering analysis of spatially resolved electron-energy-loss spectra

Dipole and quadrupole contributions to polarized CuKx-ray absorption near-edge structure spectra of CuO

Interplay between local structure, vibrational and electronic properties on CuO under pressure

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