The mfluence of stoxhlometry and bond lengths on the iomzation cnerges of tungsten and oxygen states in A,WO3 compounds IS discussed. Computation 1s achieved by meansof the relatrvlstic SCF multlple scattering X-method applied to an octahedral cluster WO$6+")-embedded macublc crystal The ION& W4f le
An MS Xα study of the electronic structure of osmium tetroxide
✍ Scribed by Jacques Weber
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 387 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Multiple scattering Xcr calculations of the electronic strocture of Os0 4 are performed using various sets of atomic spheres radii. It is shown that the use Öf overlapping atomic spheres leads to a good agreement with photoelectron and eiectronic absorption spectra.
📜 SIMILAR VOLUMES
Relative partial photoionization cross sections and photoelectron branching ratios have been obtained for the valence bands of osmium tetroxlde in the ionization energy range I2 to 18 eV. The photon energies used ranged between 24 and 100 eV. The ionization cross sections of the 21, and 2a, orbitals
The O-ccntcr in CaFa is invcstisatcd by performing multiple scattcrirq Xa calculations on the (Ore)'-cluster. In agreement with cxpcrimcnt, a strong Jahn-Teller distortion of tctrqondl symmetry is prcdictcd. Finally the ground state electronic structure of the cluster is discussed.