Тип публикации: статья из журнала

Год издания: 2020

Идентификатор DOI: 10.1002/qua.26092

Ключевые слова: DFT, electric field, Hubbard correction, spintronics, transition metal dihalides

Аннотация: 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 iПоказать полностьюnterface 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.

Журнал: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Номера страниц: 26092

ISSN журнала: 00207608

Место издания: HOBOKEN

Издатель: WILEY

• Melchakova Iuliia (Siberian Fed Univ, Krasnoyarsk, Russia; Kirensky Inst Phys, Krasnoyarsk, Russia; Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South KoreaReviewEarly Access)
• Kovaleva Evgenia A. (Siberian Fed Univ, Krasnoyarsk, Russia; Kirensky Inst Phys, Krasnoyarsk, Russia)
• Mikhaleva Natalia S. (Siberian Fed Univ, Krasnoyarsk, Russia)
• Tomilin Felix N. (Siberian Fed Univ, Krasnoyarsk, Russia; Kirensky Inst Phys, Krasnoyarsk, Russia)
• Ovchinnikov Sergey G. (Siberian Fed Univ, Krasnoyarsk, Russia; Kirensky Inst Phys, Krasnoyarsk, Russia)
• Kuzubov Alexander A.
• Avramov Paul (Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South KoreaReviewEarly Access)

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