| Автор | Nassrin Y Moghadam |
| Автор | G M Stocks |
| Автор | B Ujfalussy |
| Автор | W A Shelton |
| Автор | A Gonis |
| Автор | J S Faulkner |
| Дата выпуска | 1999-07-19 |
| dc.description | In the familiar Korringa-Kohn-Rostoker (KKR) or Green function method, wave propagation between scattering sites is described by the so-called structure constants of the lattice (KKR structure constants), where these quantities are treated as having infinite spatial extent. In a recent development, it has been shown that the KKR method can be formulated in terms of screened structure constants that are of finite range (the screened KKR method). Here, we present an alternative formulation of the screened KKR method that is derived from simple manipulations of the multiple-scattering equations. We carry out density-of-states and total-energy calculations for spin-polarized and non-spin-polarized materials using the method. We point out possible unphysical features of the method. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Application of the screened Korringa-Kohn-Rostoker method |
| Тип | paper |
| DOI | 10.1088/0953-8984/11/28/311 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 11 |
| Первая страница | 5505 |
| Последняя страница | 5515 |
| Выпуск | 28 |
