Тип публикации: статья из журнала

Год издания: 2023

Идентификатор DOI: 10.1016/j.commatsci.2023.112266

Аннотация: The atomic and electronic structure of superperiodic vertical hybrid Janus heterostructures based on doped twisted bilayer graphenes were theoretically developed and studied using electronic structure calculations. Regularly opposed superperiodic sublattices of fluorine and aluminum adatoms were used to induce structural charge polПоказать полностьюarization, and uncompensated spin moments up to 1.05 µB per unit cell, caused by local intense transverse electric fields generated by ferromagnetically aligned spin polarization of entire lattices. It was shown that spin polarization of the heterostructures is mostly determined by partial carbon and fluorine electronic states localized in the vicinity of the Fermi level, whereas superlattices of Al adatoms mostly determine the rate of charge polarization, the symmetry, and intensity of the internal transverse electric field up to −0.018 e2/Å. It was shown that proposed heterostructures may display advanced electronic spin, entanglement and magnetostriction properties perspective for various spin- and quantum-related applications.

Журнал: Computational Materials Science

Выпуск журнала: Т. 227

Номера страниц: 112266

ISSN журнала: 09270256

Издатель: Elsevier Science Publishing Company, Inc.

• Melchakova Iu.A. (School of Physics and Engineering, ITMO University, St Petersburg 197101, Russia)
• Oyeniyi G.T. (Department of Chemistry, Kyungpook National University, Daegu, South Korea)
• Chernozatonskii L.A. (Research School Chemistry and Technology of Polymeric Materials, Plekhanov Russian University of Economics, Moscow 117997, Russia)
• Avramov P.V. (Department of Chemistry, Kyungpook National University, Daegu, South Korea)

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