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 journalReview articlepeer-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 languageEnglish
Article numbere26092
JournalInternational Journal of Quantum Chemistry
Volume120
Issue number3
DOIs
StatePublished - 5 Feb 2020

Keywords

  • DFT
  • electric field
  • Hubbard correction
  • spintronics
  • transition metal dihalides

Fingerprint

Dive into the research topics of 'External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface'. Together they form a unique fingerprint.

Cite this