[Pw_forum] Graphene band structure

[Elie Moujaes]

Thanks very much for the information. I will be checking the paper.

 

Regards
 
> Date: Mon, 8 Mar 2010 09:29:42 -0500
> From: stewart at cnf.cornell.edu
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] Graphene band structure
> 
> 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
> > ------
> > ======================================================================
> > L.F.Huang(黄良锋) DFT and phonon physics
> > ======================================================================
> > Add: Research Laboratory for Computational Materials Sciences,
> > Instutue of Solid State Physics,the Chinese Academy of Sciences,
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