| Автор | Antje Dannenberg |
| Автор | Markus Ernst Gruner |
| Автор | Peter Entel |
| Дата выпуска | 2010-01-01 |
| dc.description | We investigate in the framework of density functional theory the structural and electronic properties of stoichiometric L1<sub>1</sub> ordered transition metal alloys of Pt and the 3d transition metals Mn, Fe, Co, Ni and Cu. A marked dependence of the energy difference between L1<sub>1</sub> and L1<sub>0</sub> structure on the valence electron concentration is encountered, with the L1<sub>1</sub> order being the preferred structure for CuPt, whereas the other alloys favor the L1<sub>0</sub> arrangement. The changes of the electronic density of states on composition are well represented within a rigid-band-picture, while the transition from L1<sub>0</sub> to L1<sub>1</sub> order is accompanied by a characteristic redistribution of the minority spin states around the Fermi level. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Копирайт | © 2010 IOP Publishing Ltd |
| Название | First-principles study of the structural stability of L1<sub>1</sub> order in Pt-based alloys |
| Тип | paper |
| DOI | 10.1088/1742-6596/200/7/072021 |
| Electronic ISSN | 1742-6596 |
| Print ISSN | 1742-6588 |
| Журнал | Journal of Physics: Conference Series |
| Том | 200 |
| Первая страница | 72021 |
| Последняя страница | 72024 |
| Аффилиация | Antje Dannenberg; Department of Physics and Center for Nanointegration, CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany |
| Аффилиация | Markus Ernst Gruner; Department of Physics and Center for Nanointegration, CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany |
| Аффилиация | Peter Entel; Department of Physics and Center for Nanointegration, CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany |
| Выпуск | 7 |
