[Pw_forum] Graphene band structure

[Derek Stewart]

Dear Elie,

Even with a single layer of graphene, you can get an high energy
"interlayer" band. This has been seen recently in near-edge x-ray
absorption experiments on graphene. See the following paper for details:

"Near-Edge X-Ray Absorption Fine-Structure Investigation of Graphene",
D. Pacile et al., Phys. Rev. Lett, 101, 066806 (2008)
http://dx.doi.org/10.1103/PhysRevLett.101.066806

Best regards,

Derek

################################
Derek Stewart, Ph. D.
Senior Research Associate
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Elie Moujaes wrote:
> Thanks again for your reply. I will have a look at these papers. But
> my case is simply monolayer graphene and there is no
> intercalation..Can these bands still exist?
>
>
> Reagrds
>
>
>
>
> ------------------------------------------------------------------------
> To: pw_forum at pwscf.org
> From: lfhuang at theory.issp.ac.cn
> Date: Sat, 6 Mar 2010 12:46:33 +0800
> Subject: Re: [Pw_forum] Graphene band structure
>
> >three different bands that should not exist (namely the ones starting
> at 4.8 , 8.8 and one of the lines at 10 on the >y axis).
> Why do they should not exist? What's your computational parameters?
> Actually, these bands exist! These bands correspond to the so called
> "interlayer bands" in the intercalated graphite compounds (GICs) and
> responsible for the superconductivity phenomenom in GICs.
> Reference: G. Csanyi et al., "The role of the interlayer state in the
> electronic structure of superconducting graphite intercalated
> compounds", Nature Physics vol. 1 page 42-45 (2005).
>
> > I realized this when I compared that to other graphene band
> structure calculations.
> What's yours references for the graphene band structure? From a
> chinese paper in early 2009, you can verify the existence of the
> "interlayer bands" in the Fig. 1 therein. In addition, the reference
> [20] and [21] therein may be also useful for you.
> Reference: Huang Liangfeng et al.,"Lattice dynamics of
> hydrogen-substituted graphene systems", Acta Physica Sinica vol. 58
> page s306-312 (2009).
>
> Best Wishes!
> Yours Sincerely
> L.F.Huang
> ------
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> L.F.Huang(黄良锋) DFT and phonon physics
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