| Автор | L Do Phuong |
| Автор | A Pasturel |
| Автор | D Nguyen Manh |
| Дата выпуска | 1993-03-29 |
| dc.description | The authors have derived interatomic pair potentials for liquid transition metals using the tight-binding cluster Bethe lattice method (CBLM) in which the important role of s electrons (changing the number d electrons, screening d charge transfer and band mixing effect via s-d hybridization) can be treated self-consistently. Coupled with molecular dynamics simulations they have calculated the static structure factors S(q) of the 3d liquid transition metals, which are in good agreement with the experimental ones. The results for the electronic density of states of these metals as well as their cohesive energy are also presented. The authors have also discussed their results in the light of those obtained in the Wills-Harrison and Pettifor models. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Effect of s-d hybridization on interatomic pair potentials of the 3d liquid transition metals |
| Тип | paper |
| DOI | 10.1088/0953-8984/5/13/008 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 5 |
| Первая страница | 1901 |
| Последняя страница | 1918 |
| Аффилиация | L Do Phuong; Lab. de Thermodynamique et de Phys.-Chimie Metall., ENSEEG, St-Martin-d'Heres, France |
| Аффилиация | A Pasturel; Lab. de Thermodynamique et de Phys.-Chimie Metall., ENSEEG, St-Martin-d'Heres, France |
| Аффилиация | D Nguyen Manh; Lab. de Thermodynamique et de Phys.-Chimie Metall., ENSEEG, St-Martin-d'Heres, France |
| Выпуск | 13 |
