| Автор | C Z Wang |
| Автор | B C Pan |
| Автор | K M Ho |
| Дата выпуска | 1999-03-01 |
| dc.description | We present a new generation of tight-binding model for silicon which goes beyond the traditional two-centre approximation and allows the tight-binding parameters to scale according to the bonding environment. We show that the new model improves remarkably the accuracy and transferability of the potential for describing the structures and energies of silicon surfaces, in addition to the properties of silicon in the bulk diamond structure. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | An environment-dependent tight-binding potential for Si |
| Тип | paper |
| DOI | 10.1088/0953-8984/11/8/017 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 11 |
| Первая страница | 2043 |
| Последняя страница | 2049 |
| Аффилиация | C Z Wang; Ames Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, IA 50011, USA |
| Аффилиация | B C Pan; Ames Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, IA 50011, USA |
| Аффилиация | K M Ho; Ames Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, IA 50011, USA |
| Выпуск | 8 |
