| Автор | A Gonis |
| Автор | P E A Turchi |
| Автор | J Kudrnovský |
| Автор | V Drchal |
| Автор | I Turek |
| Дата выпуска | 1996-10-14 |
| dc.description | A general method for treating the so-called charge-transfer effects in substitutional alloys is suggested within the formalism of the single-site (SS) coherent-potential approximation (CPA). The method allows the self-consistent treatment of the Poisson field through the construction of a configurational space and species-dependent structure constants which provide the means for an application of multiple-scattering theory which avoids overlap between adjacent cells. This, in turn, allows the treatment of non-neutral cells at the level of the SS CPA, avoiding the need for subsequent correction the results of the CPA. The method is compared with previous approaches to the problem and is used to treat the case of Al - Li alloys for which significant charge transfer is known to exist. The results are compared with those obtained within the muffin-tin implementation of the CPA, and a final discussion of the general features of the proposed method is given. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Charge-transfer effects in disordered alloys: the test case of Al - Li alloys |
| Тип | paper |
| DOI | 10.1088/0953-8984/8/42/008 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 8 |
| Первая страница | 7883 |
| Последняя страница | 7898 |
| Выпуск | 42 |
