1. Siberian Federal University, Krasnoyarsk, Russia;2. Siberian Federal University, Krasnoyarsk, Russia
Kirensky Institute of Physics, Krasnoyarsk, Russia;3. Department of Chemistry, Kyungpook National University, Daegu, South Korea
Abstract:
Electronic structure and spin-related properties of CoI2/NiI2 heterostructure were studied by means of density functional theory. It was shown that the electronic structure at the Fermi level can be characterized by a band gap. The effect of the external electric field on charge transfer and electronic properties of the CoI2/NiI2 interface was investigated, and it was found that band gap width depends on the strength of the applied electric field, switching its nature from semiconducting to a half-metallic one. An easy control of the electronic properties and promising spin-polarized nature of the CoI2/NiI2 spinterface allows the heterostructure to be used in spin-related applications.