Band Structure of Bilayer Graphene Intercalated by Potassium Atoms. Ab Initio Calculations

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Abstract

Using the electron density functional theory, the electronic band structure of pure and potassium-intercalated bilayer graphene has been studied. It is shown that after the intercalation process, a band gap appears in the band structure of bilayer graphene. In addition, the energy gap changes nonlinearly depending on the intercalate concentration in the interlayer space of bilayer graphene. We also calculated the energy spectra of bilayer graphene containing vacancy defects, the presence of which leads to the appearance of mid-gap states.

About the authors

Zeytun A. Akhmatov

Kabardino-Balkarian State University

Email: ahmatov.z@bk.ru
360004, Nalchik, Russia

Zarif A. Akhmatov

Kabardino-Balkarian State University; Southern Mathematical Institute, Vladikavkaz Scientific Center, Russian Academy of Sciences

Author for correspondence.
Email: ahmatov.z@bk.ru
360004, Nalchik, Russia; 362027, Vladikavkaz, Russia

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