Electronic structure of the octahedral oxyanions of aluminum and silicon

Brytov, I. A.; Romashchenko, Yu. N.; Щеголев, Б. Ф.

doi:10.1007/bf00745493

Cited by 8 publications

(9 citation statements)

References 4 publications

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“…The measured difference spectrum contains a shoulder/pre-peak below the sharp rise of the intensity. It may occur from The slight downward shift of the edge onset and the broadening of the main peak at the O-K edge in the interface spectrum compared to that in the bulk alumina spectrum could be due to a decrease of the oxygen site symmetry [31]. Similar effects were found in the investigation of amorphous or 1-AlZ03 [31] and Fe-Al203 interfaces [8].…”

Section: Methodssupporting

confidence: 59%

Electron Energy-Loss Near-Edge Structure of Metal-Alumina Interfaces

Scheu

Dehm

Müllejans

et al. 1995

Microsc. Microanal. Microstruct.

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Abstract. 2014 The physical properties of metal-ceramic composites are strongly affected by the local chemistry and atomic bonding across the interface. Information on both are contained in the energy-loss near-edge structure. The spectral component specific for the interface can be obtained by the spatial-difference technique. This method was applied for the investigation of two different interfaces, namely Al/Al2O3 and Cu/Al2O3. The Al-L2,3 edge at the Al/Al2O3 interface shows a characteristic energy-loss near-edge structure which was compared to multiple scattering calculations for Al(O3Al) tetrahedra with various Al-Al bond lengths. Good agreement with the experimental data was found for a cluster with an Al-Al bond length larger than the Al-O distance which is nearly that of amorphous Al2O3. No interface-specific component could be detected at the Al-L2,3 edge of the Cu/Al2O3 interface. However, the energy-loss near-edge structure of the Cu-L2,3 edge indicates that Cu exists at the interface in a Cu1+ state and that the chemical bond is established at the interface between Cu and O atoms.

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Section: Methodssupporting

confidence: 59%

Electron Energy-Loss Near-Edge Structure of Metal-Alumina Interfaces

Scheu

Dehm

Müllejans

et al. 1995

Microsc. Microanal. Microstruct.

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“…Auerhammer (Fig. la) [9]. This is to be expected since the unoccupied MO structure of the isoelectronic clusters AlO45-and SiO44-are very similar [11].…”

mentioning

confidence: 57%

p → p-like transitions at the silicon L2,3-edges of silicates

Hansen

Brydson

McComb

1992

Microsc. Microanal. Microstruct.

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Abstract. 2014 We provide evidence for the existence of p ~ p-like transitions at the silicon L2,3-edges of common silicates. This arises due to the local, tetrahedral potential at the silicon site imposed by the nearest neighbour atoms leading to a loss of inversion symmetry. In order to successfully describe the resultant electron energy loss near-edge structure (ELNES) in such environments, we show that the consideration of such effects is extremely important.

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“…A similar comparison can be made as regards stishovite, whose emission spectra were collected and discussed by Brytov et al (1979) and by Wiech (1984). The spectra are shown in Fig.…”

Section: Comparison With Experimental Data" Stishovitementioning

confidence: 96%

An ab-initio Hartree-Fock study of ?-quartz and stishovite

et al. 1990

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Abstract. e-quartz and stishovite have been studied using a periodic ab-initio Hartree-Fock method in order to characterize the chemical nature of the Si-O bond and the way in which it changes with the coordination number of Si. Structural properties, including unit cell volume and c/a ratio have been optimized in order to evaluate the reliability of the method and the effect of the basis set. Density of states and electron charge density maps have been taken into account to investigate the electronic properties of the two systems and the r61e played by different orbitals. We also present comparisons with experimental X-ray emission data. The importance of d orbitals is stressed by our calculations, and a possible interpretation of the Si-O bond proposed. Quartz is found to be more covalent than stishovite.

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Electronic structure of the octahedral oxyanions of aluminum and silicon

Cited by 8 publications

References 4 publications

Electron Energy-Loss Near-Edge Structure of Metal-Alumina Interfaces

Electron Energy-Loss Near-Edge Structure of Metal-Alumina Interfaces

p → p-like transitions at the silicon L2,3-edges of silicates

An ab-initio Hartree-Fock study of ?-quartz and stishovite

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