| Автор | T H M van den Berg |
| Автор | A van der Avoird |
| Дата выпуска | 1989-07-03 |
| dc.description | The anomalous dispersion found by inelastic neutron scattering in one of the vibron bands in solid tetracyanoethene appears to be due to the electrostatic interactions that couple the infrared-active intramolecular vibrations via the transition dipole resonance mechanism. This is demonstrated by way of both numerical lattice dynamics calculations and a simple mathematical analysis, which relates the Fourier components of the dispersion curves in specific directions of the wavevector k to two-dimensional lattice sums over the dipole-dipole interactions between layers perpendicular to k. Only for specific orientations of the molecular transition dipole moments in a solid and for specific directions of k will this lead to a dispersion curve of irregular shape. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | On the anomalous vibron-phonon dispersion in solid tetracyanoethene, C<sub>2</sub>(CN)<sub>4</sub> |
| Тип | paper |
| DOI | 10.1088/0953-8984/1/26/002 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 1 |
| Первая страница | 4047 |
| Последняя страница | 4055 |
| Аффилиация | T H M van den Berg; Inst. of Theor. Chem., Nijmegen Univ., Netherlands |
| Аффилиация | A van der Avoird; Inst. of Theor. Chem., Nijmegen Univ., Netherlands |
| Выпуск | 26 |
