Characterization of LSMO/C60 spinterface by first-principle calculations

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 transition 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.