| Автор | Pei-Lin Cao |
| Автор | Ru-Hong Zhou |
| Дата выпуска | 1993-05-03 |
| dc.description | The bonding characterization of Br on the Si(100) surface has been studied by the atom superposition and electron delocalization molecular orbital theory, using 2*1 symmetric- and buckled-dimer models for this surface. From the total energy minima, the authors have found two stable adsorption sites for Br bonding in the symmetric-dimer model. One is along the surface dangling bond with a Br-Si bond length of 2.16 AA and a bond angle of 19 degrees to the surface normal; the other is the bridge site with a Br-Si bond length of 2.13 AA. In the buckled-dimer model, Br is predicted to adsorb onto the dangling bonds and further to enhance the buckling. The calculated bond lengths and angles are in good agreement with the recent X-ray standing-wave (XSW) experiment. Moreover, the authors give a new explanation for the low coherent fraction f<sub>c</sub> in the XSW study. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | The bonding characterization of Br on Si(100)2*1 |
| Тип | paper |
| DOI | 10.1088/0953-8984/5/18/011 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 5 |
| Первая страница | 2897 |
| Последняя страница | 2902 |
| Аффилиация | Pei-Lin Cao; Dept. of Phys., Zhejiang Univ., Hangzhou, China |
| Аффилиация | Ru-Hong Zhou; Dept. of Phys., Zhejiang Univ., Hangzhou, China |
| Выпуск | 18 |
