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Matematicheskoe modelirovanie, 2020, Volume 32, Number 8, Pages 21–30
DOI: https://doi.org/10.20948/mm-2020-08-02
(Mi mm4203)
 

This article is cited in 1 scientific paper (total in 1 paper)

Self-consistent calculation of the ground state of a hydrogen-like carbon atom in a graphene lattice

B. G. Freinkman

Keldysh Institute of Applied Mathematics of RAS
Full-text PDF (319 kB) Citations (1)
References:
Abstract: With the discovery of graphene, the era of the development of fundamentally new materials began. Their unique properties already allow you to create many useful products in electronics, biomedicine and other high-tech industries. However, the study of graphene and its derivatives continues. The mechanism of the formation of the graphene lattice and the state parameters of its individual atoms are still not fully understood. The reason for this is the fact that graphene itself cannot be obtained without laying carbon atoms on a surface with certain properties. But in this case, the properties of graphene are substantially obscured by the properties of the surface itself. This work is devoted to the creation of a graphene model in the form of a lattice of hydrogen-like carbon atoms. In this case, we use a modification of the Brandt-Kitagawa approach with shielded ions that we proposed earlier. In the cold lattice approximation, this model assumes that the three valence atoms oriented along the bond lines belong to the ion shield. And only one valence electron determines the ground state of the lattice atom and the inhomogeneous angular distribution of its field.
Keywords: graphene lattice, hydrogen-like atom, ground state, self-consistent solution of the Schrodinger equation, inhomogeneous central field.
Funding agency Grant number
Russian Foundation for Basic Research 20-07-00790_a
Received: 24.06.2019
Revised: 16.04.2020
Accepted: 21.05.2020
English version:
Mathematical Models and Computer Simulations, 2021, Volume 13, Issue 2, Pages 286–292
DOI: https://doi.org/10.1134/S2070048221020071
Document Type: Article
Language: Russian
Citation: B. G. Freinkman, “Self-consistent calculation of the ground state of a hydrogen-like carbon atom in a graphene lattice”, Matem. Mod., 32:8 (2020), 21–30; Math. Models Comput. Simul., 13:2 (2021), 286–292
Citation in format AMSBIB
\Bibitem{Fre20}
\by B.~G.~Freinkman
\paper Self-consistent calculation of the ground state of a hydrogen-like carbon atom in a graphene lattice
\jour Matem. Mod.
\yr 2020
\vol 32
\issue 8
\pages 21--30
\mathnet{http://mi.mathnet.ru/mm4203}
\crossref{https://doi.org/10.20948/mm-2020-08-02}
\transl
\jour Math. Models Comput. Simul.
\yr 2021
\vol 13
\issue 2
\pages 286--292
\crossref{https://doi.org/10.1134/S2070048221020071}
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  • https://www.mathnet.ru/eng/mm/v32/i8/p21
  • This publication is cited in the following 1 articles:
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    Математическое моделирование
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    Abstract page:261
    Full-text PDF :87
    References:25
    First page:3
     
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