mriselMagnetic Resonance in SolidsMagnetic Resonance in Solids2072-5981Kazan Federal University10.26907/mrsej-19309mrisel-59Research ArticleСтатьиEffect of doping on the electronic properties of grapheneSharinE. P.

Yakutsk 677000

ep.sharin@s-vfu.ruEvseevK. V.

Yakutsk 677000

North-Eastern Federal UniversityRussian Federation201919042019213SPECIAL ISSUE dedicated to Boris I. Kochelaev's 85th birthday19309 (7 pp.)Copyright © Sharin E.P., Evseev K.V., 20242024Sharin E.P., Evseev K.V.Sharin E.P., Evseev K.V.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://www.mrsej.ru/jour/article/view/59

In the framework of a density functional theory, an ab initio calculation of a band structure of single-layer graphene doped by nitrogen atoms was carried out. It is established that structural and electronic properties of such systems are strongly influenced by a dopant concentration and its location in a crystal lattice of graphene. Effects of doping of the graphene monolayer on its electronic spectrum are studied. These results indicate a possibility to regulate a band gap width by an appropriate choice of the dopant concentration and its location in the crystal lattice of graphene.

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The authors declare that there are no conflicts of interest present.