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.

中文翻译：

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外部电场对CoI2 / NiI2界面电子性质和电荷转移的影响

电子结构，COI中的自旋相关的属性₂ / NII ₂通过密度泛函理论的手段异质结构进行了研究。结果表明，费米能级的电子结构可以通过带隙来表征。研究了外部电场对CoI ₂ / NiI ₂界面的电荷转移和电子性能的影响，发现带隙宽度取决于所施加电场的强度，其性质从半导体变为半导电。金属的。电子性质的容易控制和ω1有为自旋极化性质₂ / NII ₂ spinterface允许将异质结构用于自旋相关的应用程序。