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The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon- and h-BN fragments at LSMO(001) MnO-terminated interfaces
Автор | Kuklin, A. V. | |
Автор | Kuzubov, A. A. | |
Автор | Kovaleva, E. A. | |
Автор | Hyosun, Lee | |
Автор | Sorokin, P. B. | |
Автор | Sakai, S. | |
Автор | Entani, S. | |
Автор | Naramoto, H. | |
Автор | Avramov, P. V. | |
Дата внесения | 2018-02-07T07:29:46Z | |
Дата, когда ресурс стал доступен | 2018-02-07T07:29:46Z | |
Дата публикации | 2017-10 | |
Библиографическое описание | Kuklin, A. V. The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon- and h-BN fragments at LSMO(001) MnO-terminated interfaces [Текст] / A. V. Kuklin, A. A. Kuzubov, E. A. Kovaleva, Lee Hyosun, P. B. Sorokin, S. Sakai, S. Entani, H. Naramoto, P. V. Avramov // Journal of Magnetism and Magnetic Materials. — 2017. — Т. 440. — С. 23-29 | |
ISSN | 03048853 | |
URI (для ссылок/цитирований) | http://www.sciencedirect.com/science/article/pii/S0304885316325884 | |
URI (для ссылок/цитирований) | https://elib.sfu-kras.ru/handle/2311/69904 | |
Аннотация | Induced spin polarization of π-conjugated carbon and h-BN low dimensional fragments at the interfaces formed by deposition of pentacene molecule and narrow zigzag graphene and h-BN nanoribbons on MnO2-terminated LSMO(001) thin film was studied using GGA PBE+U PAW D3-corrected approach. Induced spin polarization of π-conjugated low-dimensional fragments is caused by direct exchange with Mn ions of LSMO(001) MnO-derived surface. Due to direct exchange, the pentacene molecule changes its diamagnetic narrow-band gap semiconducting nature to the ferromagnetic semiconducting state with 0.15 eV energy shift between spin-up and spin-down valence bands and total magnetic moment of 0.11 μB. Direct exchange converts graphene nanoribbon to 100% spin-polarized half-metal with large amplitude of spin-up electronic density at the Fermi level. The direct exchange narrows the h-BN nanoribbon band gap from 4.04 to 1.72 eV in spin-up channel and converts the h-BN ribbon semiconducting diamagnetic nature to a semiconducting magnetic one. The electronic structure calculations demonstrate a possibility to control the spin properties of low-dimensional π-conjugated carbon and h-BN fragments by direct exchange with MnO-derived LSMO(001) surface for spin-related applications. | |
Тема | Graphene nanoribbons | |
Тема | DFT | |
Тема | LSMO thin films | |
Тема | Induced spin polarization | |
Тема | h-BN nanoribbons | |
Тема | Half-metal | |
Название | The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon- and h-BN fragments at LSMO(001) MnO-terminated interfaces | |
Тип | Journal Article | |
Тип | Journal Article Preprint | |
Страницы | 23-29 | |
ГРНТИ | 29.19.24 | |
Дата обновления | 2018-02-07T07:29:46Z | |
DOI | 10.1016/j.jmmm.2016.12.096 | |
Подразделение | Научно-исследовательская часть | |
Журнал | Journal of Magnetism and Magnetic Materials | |
Квартиль журнала в Scopus | Q1 | |
Квартиль журнала в Web of Science | Q2 |