| Autor: |
Tsirelson, V. G., Avilov, A. S., Lepeshov, G. G., Kulygin, A. K., Stahn, J., Pietsch, U., Spence, J. C. H. |
| Zdroj: |
The Journal of Physical Chemistry - Part B; May 2001, Vol. 105 Issue: 21 p5068-5074, 7p |
| Abstrakt: |
Very accurate electron structure factors measured by a significantly improved transmission electron diffraction technique for polycrystalline samples were used in a high-resolution quantitative study of the electrostatic potentials in LiF, NaF, and MgO crystals. The spatial electrostatic potential distribution was obtained using an analytical structural κ-model adapted for electron diffraction. A topological analysis of the electrostatic potential, defining the features of the electrostatic field and the Coulomb force field in a crystal was developed. In addition to the topological analysis of the electron density, this approach provides a more complete description of the atomic interactions. The application of this approach to the characterization of bonding in a crystal has been demonstrated. The suitability of electron diffraction for determination of the core-electron binding energy is discussed. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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