A Technique for Calculation of the Electronic Structure of Slabs with Arbitrary Number of Layers Научная публикация
Журнал |
Physics of Low-Dimensional Structures (up to 2006)
ISSN: 0204-3467 |
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Вых. Данные | Год: 2002, Том: 9-10, Страницы: 23-34 Страниц : 12 | ||
Ключевые слова | POLYNOMIAL TAILS | ||
Авторы |
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Организации |
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Реферат:
A set of equations whose order is independent of the number of layers in a slab is derived for calculation of the electronic structure of the slab. The equation sets for slab fragments of "cubium" crystal were solved for illustration. The dependence of the position of the levels corresponding to the band bottom, middle of the band, a surface state, and Fermi energy as well as the charge distribution in a number of layers in the slab are presented. The results are identical with those obtained using the conventional technique, but the computer time needed to calculate, e.g., a 50-layer slab is in 105 times shorter for the new technique compared with that for the conventional procedure. The proposed technique seems to be promising in applications to nanostructure materials.
Библиографическая ссылка:
Tapilin V.M.
A Technique for Calculation of the Electronic Structure of Slabs with Arbitrary Number of Layers
Physics of Low-Dimensional Structures (up to 2006). 2002. V.9-10. P.23-34. WOS Scopus РИНЦ
A Technique for Calculation of the Electronic Structure of Slabs with Arbitrary Number of Layers
Physics of Low-Dimensional Structures (up to 2006). 2002. V.9-10. P.23-34. WOS Scopus РИНЦ
Идентификаторы БД:
Web of science | WOS:000180145400003 |
Scopus | 2-s2.0-0036953661 |
РИНЦ | 13399330 |