Structure factors and bonding in ΒNiAl
| Autor: | A. G. Fox, E. S. K. Menon |
|---|---|
| Rok vydání: | 1997 |
| Předmět: |
Nial
Chemistry Metals and Alloys Ionic bonding Crystal structure Molecular physics Crystallography Lattice constant Electron diffraction Position (vector) General Materials Science Physical and Theoretical Chemistry Local-density approximation Debye–Waller factor computer computer.programming_language |
| Zdroj: | Journal of Phase Equilibria. 18:509-515 |
| ISSN: | 1054-9714 |
| DOI: | 10.1007/bf02665804 |
| Popis: | A combination of powder x-ray and critical voltage electron diffraction was used to determine the lattice parameter and low-angle structure factors of stoichiometric (ΒNiAI. A weighted least squares fit method was used to obtain an accurate lattice parameter from the x-ray line position data, and the integrated intensities were carefully analyzed to determine the Debye-Waller factors; the latter were found to be in good agreement with those obtained from the electron diffraction experiments. Highly accurate (errors ≅ 0.1%) low-angle structure factors were also obtained from the electron diffraction measurements, which were found to agree closely with first principles calculations in the local density approximation. This information reveals that bonding in NiAl is mostly ionic with some covalent contribution. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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