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Contact-induced spin polarization in graphene/$$h$$-BN/Ni nanocomposites

Avramov, P.; Kuzubov, A. A.*; Sakai, Seiji; Otomo, Manabu; Entani, Shiro; Matsumoto, Yoshihiro; Naramoto, Hiroshi*; Eliseeva, N. S.*

Atomic and electronic structure of graphene/Ni(111), $$h$$-BN/Ni(111) and graphene/$$h$$-BN/Ni(111) nanocomposites with different numbers of graphene and $$h$$-BN layers and in different mutual arrangements of graphene/Ni and $$h$$-BN/Ni at the interfaces was studied using LDA/PBC/PW technique. For the sake of comparison, corresponding graphene, $$h$$-BN and graphene/$$h$$-BN structures without the Ni plate were calculated using the same technique. It was suggested that C-$$top$$:C-$$fcc$$ and N-$$top$$:B-$$fcc$$ configurations are energetically favorable for the graphene/Ni and $$h$$-BN/Ni interfaces, respectively. The Ni plate was found to induce a significant degree of spin polarization in graphene and $$h$$-BN caused by direct exchange interactions of the electronic states located on different fragments.

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Category:Physics, Applied

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