Numerical experiments on phonon properties of isotope and vacancy-type disordered graphene

Md Sherajul Islam, Kenji Ushida, Tanaka Satoru, Akihiro Hashimoto

研究成果: ジャーナルへの寄稿記事

5 引用 (Scopus)

抄録

We have studied phonon properties of graphene theoretically with different concentrations of 13C isotope and vacancy-type defects. The forced vibrational method, which is based on the mechanical resonance to extract the pure vibrational eigenmodes by numerical simulation, has been employed to compute the phonon density of states (PDOSs) and mode pattern of isotope-disordered graphene as well as a combined isotope and vacancy-type defective graphene structure. We observe a linear reduction of the E 2g mode frequencies with an increase in 13C concentration due to the reduced mass variation of the isotope mixture. We find a downshift of the E2g mode of 65 cm- 1, which is a very good agreement with the experimental results, and the phonon frequencies described by the simple harmonic oscillator model. The vacancy-type defects break down the phonon degeneracy at the ETH.

元の言語英語
ページ(範囲)115-122
ページ数8
ジャーナルDiamond and Related Materials
40
DOI
出版物ステータス出版済み - 11 21 2013

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Isotopes
Graphene
Vacancies
graphene
isotopes
Experiments
resonant vibration
Defects
defects
harmonic oscillators
breakdown
Computer simulation
simulation

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Electrical and Electronic Engineering
  • Mechanical Engineering
  • Physics and Astronomy(all)
  • Chemistry(all)

これを引用

Numerical experiments on phonon properties of isotope and vacancy-type disordered graphene. / Islam, Md Sherajul; Ushida, Kenji; Satoru, Tanaka; Hashimoto, Akihiro.

:: Diamond and Related Materials, 巻 40, 21.11.2013, p. 115-122.

研究成果: ジャーナルへの寄稿記事

Islam, Md Sherajul ; Ushida, Kenji ; Satoru, Tanaka ; Hashimoto, Akihiro. / Numerical experiments on phonon properties of isotope and vacancy-type disordered graphene. :: Diamond and Related Materials. 2013 ; 巻 40. pp. 115-122.
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