Characterization of LSMO/C60 spinterface by first-principle calculations
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https://elib.sfu-kras.ru/handle/2311/33247Автор:
Kovaleva, E. A.
Kuzubov, A. A.
Avramov, P. V.
Kuklin, A. V.
Mikhaleva, N. S.
Krasnov, P. O.
Коллективный автор:
Институт цветных металлов и материаловедения
Кафедра физической и неорганической химии
Дата:
2016Журнал:
Organic ElectronicsКвартиль журнала в Scopus:
Q1Квартиль журнала в Web of Science:
Q1Библиографическое описание:
Kovaleva, E. A. Characterization of LSMO/C60 spinterface by first-principle calculations [Текст] / E. A. Kovaleva, A. A. Kuzubov, P. V. Avramov, A. V. Kuklin, N. S. Mikhaleva, P. O. Krasnov // Organic Electronics. — 2016. — Т. 37. — С. 55-60Текст статьи не публикуется в открытом доступе в соответствии с политикой журнала.
Аннотация:
Spinterface between fullerene C60 and La0 7Sr0 3MnO3 (LSMO) was studied by means of density func-
tional theory. Co-existence of many different configurations was shown, and probabilities of their
appearance were estimated. Dependence of composite properties on configuration and temperature was
also investigated. Key role of transition metal atoms in both binding between composite compartments
and magnetic ordering in C60 molecule was discussed. The latter was suggested to be responsible for
spin-polarized charge transport while overall magnetic moment of fullerene molecule is relatively small.