| Автор | Bal K Agrawal |
| Автор | Savitri Agrawal |
| Автор | P S Yadav |
| Автор | Sudhir Kumar |
| Дата выпуска | 1997-02-24 |
| dc.description | The electronic properties of the wide-band-gap semiconducting ordered alloys (for x = 0.0, 0.25, 0.50, 0.75 and 1.0) and the random alloys have been investigated by using a full-potential self-consistent linear muffin tin orbital (LMTO) method. The calculated direct band gap for random distribution of cation nearest-neighbour tetrahedral clusters in the alloys for any arbitrary concentration x is seen to show a quite linear variation in agreement with the experiment. On the other hand, the indirect band gap remains invariant. We observe a direct to indirect band gap crossover at x = 0.59. The band gap bowing is seen to be very small. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Ab initio calculation of electronic properties of alloys |
| Тип | paper |
| DOI | 10.1088/0953-8984/9/8/008 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 9 |
| Первая страница | 1763 |
| Последняя страница | 1775 |
| Аффилиация | Bal K Agrawal; Physics Department, Allahabad University, Allahabad 211002, India |
| Аффилиация | Savitri Agrawal; Physics Department, Allahabad University, Allahabad 211002, India |
| Аффилиация | P S Yadav; Physics Department, Allahabad University, Allahabad 211002, India |
| Аффилиация | Sudhir Kumar; Physics Department, Allahabad University, Allahabad 211002, India |
| Выпуск | 8 |
