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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2020, Volume 111, Issue 5, Pages 328–332
DOI: https://doi.org/10.31857/S0370274X20050100 (Mi jetpl6127) 		 
This article is cited in 3 scientific papers (total in 3 papers)

CONDENSED MATTER

Study of the electronic structure of complexes of copper phthalocyanine CuPc with a lithium atom

I. I. Vrubela, A. A. Pervishkoab

a Skolkovo Institute of Science and Technology, Moscow, 121205 Russia
b ITMO University, St. Petersburg, 197101 Russia
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DOI: https://doi.org/10.31857/S0370274X20050100
Abstract: The electronic structure of the copper phthalocyanine CuPc molecule and its energy-stable complexes with a lithium atom are studied within the density functional theory formalism. The effect of the Hubbard correction on the energy splitting of the Cu $3d$ shell in the CuPc complex is analyzed. It is shown that the absence of the Abrikosov-Suhl resonance in the copper phthalocyanine complex with added lithium is due to the filling of its highest molecular orbital. The tunneling current through these organometallic complexes is calculated and the results are in agreement with experimental scanning tunneling microscopy images.
Funding agency Grant number
Russian Foundation for Basic Research 20-52-S52001_МНТ_а
Russian Science Foundation 18-72-00058
I.I.V. acknowledges the support of the Russian Foundation for Basic Research (project no. 20-52-S52001). A.A.P. acknowledges the support of the Russian Science Foundation (project no. 18-72-00058).
Received: 05.02.2020
Revised: 14.02.2020
Accepted: 15.02.2020
English version:
Journal of Experimental and Theoretical Physics Letters, 2020, Volume 111, Issue 5, Pages 293–297
DOI: https://doi.org/10.1134/S0021364020050100
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: I. I. Vrubel, A. A. Pervishko, “Study of the electronic structure of complexes of copper phthalocyanine CuPc with a lithium atom”, Pis'ma v Zh. Èksper. Teoret. Fiz., 111:5 (2020), 328–332; JETP Letters, 111:5 (2020), 293–297
Citation in format AMSBIB
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    • This publication is cited in the following 3 articles:
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