External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface

Iuliia Melchakova; Evgenia A. Kovaleva; Natalia S. Mikhaleva; Felix N. Tomilin; Sergey G. Ovchinnikov; Alexander A. Kuzubov; Paul Avramov

doi:10.1002/qua.26092

External electric field effect on electronic properties and charge transfer in CoI₂/NiI₂ spinterface

Iuliia Melchakova, Evgenia A. Kovaleva, Natalia S. Mikhaleva, Felix N. Tomilin, Sergey G. Ovchinnikov, Alexander A. Kuzubov, Paul Avramov

Research output: Contribution to journal › Review article › peer-review

4 Scopus citations

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.

Original language	English
Article number	e26092
Journal	International Journal of Quantum Chemistry
Volume	120
Issue number	3
DOIs	https://doi.org/10.1002/qua.26092
State	Published - 5 Feb 2020

Keywords

DFT
electric field
Hubbard correction
spintronics
transition metal dihalides

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10.1002/qua.26092

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title = "External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface",

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.",

keywords = "DFT, electric field, Hubbard correction, spintronics, transition metal dihalides",

author = "Iuliia Melchakova and Kovaleva, {Evgenia A.} and Mikhaleva, {Natalia S.} and Tomilin, {Felix N.} and Ovchinnikov, {Sergey G.} and Kuzubov, {Alexander A.} and Paul Avramov",

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doi = "10.1002/qua.26092",

language = "English",

volume = "120",

journal = "International Journal of Quantum Chemistry",

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TY - JOUR

T1 - External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface

AU - Melchakova, Iuliia

AU - Kovaleva, Evgenia A.

AU - Mikhaleva, Natalia S.

AU - Tomilin, Felix N.

AU - Ovchinnikov, Sergey G.

AU - Kuzubov, Alexander A.

AU - Avramov, Paul

PY - 2020/2/5

Y1 - 2020/2/5

N2 - 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.

AB - 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.

KW - DFT

KW - electric field

KW - Hubbard correction

KW - spintronics

KW - transition metal dihalides

UR - http://www.scopus.com/inward/record.url?scp=85074795203&partnerID=8YFLogxK

U2 - 10.1002/qua.26092

DO - 10.1002/qua.26092

M3 - Review article

AN - SCOPUS:85074795203

SN - 0020-7608

VL - 120

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 3

M1 - e26092

ER -

External electric field effect on electronic properties and charge transfer in CoI₂/NiI₂ spinterface

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