| Автор | G van der Laan |
| Автор | I W Kirkman |
| Дата выпуска | 1992-04-20 |
| dc.description | The authors present the 2p (L<sub>2,3</sub>) absorption spectra of first-row transition metal ions in tetrahedral and octahedral crystal field symmetry. These have been calculated using a localized description for the 3d<sup>n</sup> to 2p<sup>5</sup>3d<sup>n+1</sup> excitation including electrostatic and spin-orbit interactions. The spectra are significantly different from those already presented where the 3d spin-orbit interaction was neglected. The spectral shape provides a valence- and symmetry-selective probe. Whereas it changes gradually with the crystal field, abrupt changes in the spectra are indicative of high-spin to low-spin transitions. These spin transitions are accompanied by a strong decrease in the 2p branching ratio. The calculated spectra provide a basis for the use of L<sub>2,3</sub> absorption spectroscopy in materials science and biological science. The limitations of these calculations and the use of configuration interaction are discussed. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | The 2p absorption spectra of 3d transition metal compounds in tetrahedral and octahedral symmetry |
| Тип | paper |
| DOI | 10.1088/0953-8984/4/16/019 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 4 |
| Первая страница | 4189 |
| Последняя страница | 4204 |
| Аффилиация | G van der Laan; SERC, Daresbury Lab., Warrington, UK |
| Аффилиация | I W Kirkman; SERC, Daresbury Lab., Warrington, UK |
| Выпуск | 16 |
