| Автор | M I J Probert |
| Автор | A J Fisher |
| Дата выпуска | 1997-04-28 |
| dc.description | We present the first ab initio calculations of the internal magnetic field of a molecular magnet using a modified Ewald method. We apply this to both the -phase and -phase forms of the organic radical para-nitrophenyl nitronyl nitroxide (p-NPNN). The -phase is known to exhibit molecular ferromagnetism, whilst the -phase is antiferromagnetic. These results are of particular relevance to the interpretation of muon spin-rotation experiments, where the muon acts as a local probe of the internal magnetic field. As further guidance to the interpretation of such experiments, we also calculate the isotropic hyperfine constant for implanted muons. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Ab initio studies of magnetism in the organic radical p-NPNN |
| Тип | paper |
| DOI | 10.1088/0953-8984/9/17/012 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 9 |
| Первая страница | 3635 |
| Последняя страница | 3645 |
| Аффилиация | M I J Probert; Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK |
| Аффилиация | A J Fisher; Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK |
| Выпуск | 17 |
