Characterization of LSMO/C-60 spinterface by first-principle calculations

Описание

Тип публикации: статья из журнала

Год издания: 2016

Идентификатор DOI: 10.1016/j.orgel.2016.06.021

Ключевые слова: C-60, LSMO, Spinterface, DFT, Magnetic ordering, C60, Fullerenes, Magnetic moments, Magnetism, Magnetization, Manganese oxide, Molecules, Transition metals, Co-existence, Composite properties, First principle calculations, Fullerene molecules, Spin-polarized charges, Transition metal atoms, Density functional theory

Аннотация: Spinterface between fullerene C-60 and La-0 Sr-7(0) 3MnO3 (LSMO) was studied by means of density functional 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 traПоказать полностьюnsition metal atoms in both binding between composite compartments and magnetic ordering in C-60 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. (C) 2016 Elsevier B.V. All rights reserved.

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Издание

Журнал: ORGANIC ELECTRONICS

Выпуск журнала: Vol. 37

Номера страниц: 55-60

ISSN журнала: 15661199

Место издания: AMSTERDAM

Издатель: ELSEVIER SCIENCE BV

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