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Prediction and theoretical investigation of new 2D and 3D periodical structures, having graphene-like bandstructures
Автор | Fedorov, A. S. | |
Автор | Popov, Z. I. | |
Автор | Kuzubov, A. A. | |
Автор | Visotin, M. A. | |
Дата внесения | 2017-06-16T10:32:04Z | |
Дата, когда ресурс стал доступен | 2017-06-16T10:32:04Z | |
Дата публикации | 2015-10 | |
Библиографическое описание | Fedorov, A. S. Prediction and theoretical investigation of new 2D and 3D periodical structures, having graphene-like bandstructures [Текст] / A. S. Fedorov, Z. I. Popov, A. A. Kuzubov, M. A. Visotin // Physica Status Solidi (B): Basic Research. — 2015. — Т. 252 (№ 11). — С. 2407-2411 | |
ISSN | 03701972 | |
URI (для ссылок/цитирований) | https://elib.sfu-kras.ru/handle/2311/33252 | |
Описание | Текст статьи не публикуется в открытом доступе в соответствии с политикой журнала. | |
Аннотация | A new family of planar nanostructures having graphene-like electronic band structure is theoretically investigated by density functional theory (DFT). Based on general perturbation theory and a tight-binding model, it was shown that graphene- like planar structures, consisting of identical nanoparticles with relatively weak contacts between them, should have an electronic band structure with Dirac cones. Two such structures, consisting of 71- or 114-silicon atom nanoparticles, were investigated by DFT using VASP software package. The band-structure calculations show the presence of Dirac cones with electron group velocity equal to 1.05 105 and 0.53 105 m/s, respectively. By generalizing the theory, a new family of 3D structures having intersecting areas with linear dispersion in the band structures was derived. As an example, the band structure of identical 25-atom silicon nanoclusters arranged in a simple cubic lattice was calculated. It was shown that the band structure has features similar to the Dirac cones. | |
Ссылка на другой сайт | https://www.scopus.com/record/display.uri?eid=2-s2.0-84946426391&origin=resultslist&sort=plf-f&src=s&st1=Kuzubov+A&st2=&sid=6B69 | |
Тема | DFT calculations | |
Тема | Dirac cones | |
Тема | graphene | |
Тема | nanoparticles | |
Название | Prediction and theoretical investigation of new 2D and 3D periodical structures, having graphene-like bandstructures | |
Тип | Journal Article | |
Тип | Published Journal Article | |
Страницы | 2407-2411 | |
ГРНТИ | 29.19.22 | |
Дата обновления | 2017-06-16T10:32:04Z | |
DOI | 10.1002/pssb.201552226 | |
Институт | Институт цветных металлов и материаловедения | |
Подразделение | Кафедра физической и неорганической химии | |
Журнал | Physica Status Solidi (B): Basic Research | |
Квартиль журнала в Scopus | Q2 |