Electron distribution in MgO probed by x-ray emission

Jonnard, Philippe; Vergand, F.; Bonnelle, C.; Orgaz, Emilio; Gupta, Michèle

doi:10.1103/physrevb.57.12111

Cited by 20 publications

(13 citation statements)

References 39 publications

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“…The experimental spectra of these materials agree well with the spectra measured in earlier studies by other authors [44,54]. Figure 4a compares the K X-ray emission spectrum of the Mg atom in the MgO crystal calculated in this study by the HF method with the experimental data of [52]. Figure 4b presents two theoretical K spectra in comparison with experimental data of [52].…”

Section: Probabilities Of X-ray Transitions; Density Of States and X-supporting

confidence: 88%

“…Figure 4a compares the K X-ray emission spectrum of the Mg atom in the MgO crystal calculated in this study by the HF method with the experimental data of [52]. Figure 4b presents two theoretical K spectra in comparison with experimental data of [52]. The theoretical spectra in Fig.…”

Section: Probabilities Of X-ray Transitions; Density Of States and X-mentioning

confidence: 91%

“…The calculations in [51] were performed by the DFT method in the local density approximation (LDA) in the plane wave basis set. The experimental data for the K spectrum were taken from [52]. The L spectrum was measured in work [51] on a Lukirskii X-ray spectrometer [53] by a standard method.…”

Section: Probabilities Of X-ray Transitions; Density Of States and X-mentioning

confidence: 99%

“…K X-ray emission spectrum of the Mg atom in the MgO crystal (a) calculated by the HF method with embedding potential (solid curve) and obtained experimentally in[52] (crosses), as well as (b) calculated by DFT with embedding potential (solid curve), calculated by the periodic model (dashed curve), and measured experimentally in[52] (crosses).…”

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confidence: 99%

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Application of the embedding potential method in calculations of the electronic structure and X-ray emission spectra of crystal MgO clusters

2015

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K and L X-ray emission spectra of Mg atoms in a MgO crystal are calculated. The wave functions and energies of the crystal needed for calculating the intensities of these spectra are obtained in calculations of crystalline clusters by the embedding potential method. In this method, a finite cluster is considered instead of an infinite crystal and the effect of the crystalline environment on the cluster is simulated by a potential that is usually called the "embedding potential." The electronic structure of clusters of different sizes and geometries in the embedding potential field is calculated by the Hartree-Fock and density functional methods. Qualitative agreement between calculated spectra and experimental data testifies that the embedding potential correctly describes the effect of the crystalline environment on the cluster.

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Section: Probabilities Of X-ray Transitions; Density Of States and X-supporting

confidence: 88%

Section: Probabilities Of X-ray Transitions; Density Of States and X-mentioning

confidence: 91%

Section: Probabilities Of X-ray Transitions; Density Of States and X-mentioning

confidence: 99%

mentioning

confidence: 99%

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Application of the embedding potential method in calculations of the electronic structure and X-ray emission spectra of crystal MgO clusters

2015

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“…We have performed XES with a high-resolution wavelength dispersive spectrometer [17] [27,28]. The energy of the incident electrons used to produce the ionizations necessary to induce the electron transitions was set to 7.5 keV.…”

Section: X-ray Emission Spectroscopymentioning

confidence: 99%

Investigation of the thermal stability of Mg/Co periodic multilayers for EUV applications

Guen

André

et al. 2011

Appl. Phys. A

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We present the results of the characterization of Mg/Co periodic multilayers and their thermal stability for the EUV range. The annealing study is performed up to a temperature of 400°C. Images obtained by scanning transmission electron microscopy and electron energy loss spectroscopy clearly show the good quality of the multilayer structure. The measurements of the EUV reflectivity around 25 nm (~49 eV) indicate that the reflectivity decreases when the annealing temperature increases above 300°C. X-ray emission spectroscopy is performed to determine the chemical state of the Mg atoms within the Mg/Co multilayer. Nuclear magnetic resonance used to determine the chemical state of the Co atoms and scanning electron microscopy images of cross sections of the Mg/Co multilayers reveal changes in the morphology of the stack from an annealing temperature of 305°C. This explains the observed reflectivity loss.

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Electron Distributions and Physicochemical Properties

Bonnelle

Spector

2015

Rare-Earths and Actinides in High Energy Spectroscopy

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Electron distribution in MgO probed by x-ray emission

Cited by 20 publications

References 39 publications

Application of the embedding potential method in calculations of the electronic structure and X-ray emission spectra of crystal MgO clusters

Application of the embedding potential method in calculations of the electronic structure and X-ray emission spectra of crystal MgO clusters

Investigation of the thermal stability of Mg/Co periodic multilayers for EUV applications

Electron Distributions and Physicochemical Properties

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