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

グラフェン/-BN/Niナノコンポジットにおける接触誘起スピン偏極

Avramov, P.; Kuzubov, A. A.*; 境 誠司; 大伴 真名歩; 圓谷 志郎; 松本 吉弘; 楢本 洋*; Eliseeva, N. S.*

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