RUS  ENG JOURNALS   PEOPLE   ORGANISATIONS   CONFERENCES   SEMINARS   VIDEO LIBRARY   PACKAGE AMSBIB
General information
Latest issue
Archive
Impact factor

Search papers
Search references

RSS
Latest issue
Current issues
Archive issues
What is RSS



Pis'ma v Zh. Èksper. Teoret. Fiz.:
Year:
Volume:
Issue:
Page:
Find






Personal entry:
Login:
Password:
Save password
Enter
Forgotten password?
Register


Pis'ma v Zh. Èksper. Teoret. Fiz., 2013, Volume 98, Issue 1, Pages 17–22 (Mi jetpl3457)  

This article is cited in 3 scientific papers (total in 3 papers)

CONDENSED MATTER

Features in the electronic structure and photoemission spectra of organic molecular semiconductors: The molecules of metal-phthalocyanines and PTCDA

E. V. Tikhonova, Yu. A. Uspenskiib, D. R. Khokhlova

a M. V. Lomonosov Moscow State University, Faculty of Physics
b P. N. Lebedev Physical Institute, Russian Academy of Sciences

Abstract: The role of many-electron effects in the formation of electronic quasiparticle spectra in organic molecular semiconductors (OMS) is analyzed. Many-body perturbation theory, ab initio calculations of metal phthalocyanines and PTCDA molecules, and experimental photoemission spectra are applied to this analysis. It is shown that density functional theory (DFT) poorly reproduces the electronic spectra of OMS. The use of a hybrid functional method (HFM) provides precise reproduction of both valence and conducting bands, while the HOMO-LUMO gap remains underestimated. The correct gap width is obtained in both DFT and HFM, when it is calculated through ionization and affinity energies. It is shown that such an approach gives a formula for gap correction due to electron correlations, which is close to an expression derived from the GW approximation.

DOI: https://doi.org/10.7868/S0370274X13130043

Full text: PDF file (357 kB)
References: PDF file   HTML file

English version:
Journal of Experimental and Theoretical Physics Letters, 2013, 98:1, 14–18

Bibliographic databases:

Received: 24.05.2013

Citation: E. V. Tikhonov, Yu. A. Uspenskii, D. R. Khokhlov, “Features in the electronic structure and photoemission spectra of organic molecular semiconductors: The molecules of metal-phthalocyanines and PTCDA”, Pis'ma v Zh. Èksper. Teoret. Fiz., 98:1 (2013), 17–22; JETP Letters, 98:1 (2013), 14–18

Citation in format AMSBIB
\Bibitem{TikUspKho13}
\by E.~V.~Tikhonov, Yu.~A.~Uspenskii, D.~R.~Khokhlov
\paper Features in the electronic structure and photoemission spectra of organic molecular semiconductors: The molecules of metal-phthalocyanines and PTCDA
\jour Pis'ma v Zh. \`Eksper. Teoret. Fiz.
\yr 2013
\vol 98
\issue 1
\pages 17--22
\mathnet{http://mi.mathnet.ru/jetpl3457}
\crossref{https://doi.org/10.7868/S0370274X13130043}
\elib{http://elibrary.ru/item.asp?id=20687414}
\transl
\jour JETP Letters
\yr 2013
\vol 98
\issue 1
\pages 14--18
\crossref{https://doi.org/10.1134/S0021364013140130}
\isi{http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&DestLinkType=FullRecord&DestApp=ALL_WOS&KeyUT=000324571700004}
\elib{http://elibrary.ru/item.asp?id=20456962}
\scopus{http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84884514126}


Linking options:
  • http://mi.mathnet.ru/eng/jetpl3457
  • http://mi.mathnet.ru/eng/jetpl/v98/i1/p17

    SHARE: VKontakte.ru FaceBook Twitter Mail.ru Livejournal Memori.ru


    Citing articles on Google Scholar: Russian citations, English citations
    Related articles on Google Scholar: Russian articles, English articles

    This publication is cited in the following articles:
    1. Tikhonov E.V., Uspenskii Yu.A., Khokhlov D.R., J. Exp. Theor. Phys., 120:6 (2015), 1093–1100  crossref  adsnasa  isi  elib  scopus
    2. Mohamad M., Ahmed R., Shaari A., Ul Haq B., Kanoun M.B., Goumri-Said S., ECS J. Solid State Sci. Technol., 5:6 (2016), M58–M62  crossref  isi  elib  scopus
    3. Zavilopulo A., Shpenik O., Ukr. J. Phys., 64:1 (2019), 3–10  crossref  isi  scopus
  •       Pis'ma v Zhurnal ksperimental'noi i Teoreticheskoi Fiziki
    Number of views:
    This page:170
    Full text:47
    References:21
    First page:5

     
    Contact us:
     Terms of Use  Registration  Logotypes © Steklov Mathematical Institute RAS, 2020