| Автор | P H K de Jong |
| Автор | P Verkerk |
| Автор | L A de Graaf |
| Автор | W S Howells |
| Автор | W van der Lugt |
| Дата выпуска | 1995-01-16 |
| dc.description | We report a neutron diffraction experiment on liquid <sup>7</sup>Li<sub>x</sub>Si<sub>1-x</sub> alloys (x=0.80, 0.65 and 0.57) just above the liquidus and on <sup>7</sup>Li<sub>57</sub>Si<sub>43</sub> at about 200 K above the liquidus. We obtained absolutely normalized and fully corrected structure factors and radial distribution functions. Which provide indications for the occurrence of chemical ordering in all three alloys. We have analysed the data by fitting models to the structure factor and to the radial distribution function, and by using the reverse Monte Carlo (RMC) method. We find strong indications for the presence of covalently bonded Si in liquid Li<sub>65</sub>Si<sub>35</sub> and Li<sub>57</sub>Si<sub>43</sub>. The Si-Si coordination number Z<sub>SiSi</sub> varies from about 1.5 in Li<sub>65</sub>Si<sub>35</sub> to about 2 in Li<sub>57</sub>Si<sub>43</sub>. For c<sub>Si</sub>>0.2, Si forms poly-anions ranging from dumbbells to large three-dimensional structures. Z<sub>SiSi</sub> in Li<sub>57</sub>Si<sub>43</sub> is not strongly temperature dependent and consequently the poly-anions are fairly stable. Covalently bonded Si is absent in liquid Li<sub>80</sub>Si<sub>20</sub>. The RMC modelling indicates that individual Si atoms are well separated. This suggests that the covalent character of Si in the Si-rich alloys (Li<sub>65</sub>Si<sub>35</sub> and Li<sub>57</sub>Si<sub>43</sub>) changes to a more ionic character in Li<sub>80</sub>Si<sub>20</sub>. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Neutron diffraction study of liquid Li<sub>x</sub>Si<sub>1-x</sub> alloys where x=0.80, 0.65 and 0.57 |
| Тип | paper |
| DOI | 10.1088/0953-8984/7/3/006 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 7 |
| Первая страница | 499 |
| Последняя страница | 516 |
| Аффилиация | P H K de Jong; Interfaculty Reactor Inst., Delft Univ. of Technol., Netherlands |
| Аффилиация | P Verkerk; Interfaculty Reactor Inst., Delft Univ. of Technol., Netherlands |
| Аффилиация | L A de Graaf; Interfaculty Reactor Inst., Delft Univ. of Technol., Netherlands |
| Аффилиация | W S Howells; Interfaculty Reactor Inst., Delft Univ. of Technol., Netherlands |
| Аффилиация | W van der Lugt; Interfaculty Reactor Inst., Delft Univ. of Technol., Netherlands |
| Выпуск | 3 |
