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 > ** New Webpage ** > http://sites.google.com/site/dft4nano/ > 250 Duffield Hall > Cornell Nanoscale Facility (CNF) > Ithaca, NY 14853 > stewart (at) cnf.cornell.edu > (607) 255-2856 > > > > > 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(???) DFT and phonon physics > > ====================================================================== > > Add: Research Laboratory for Computational Materials Sciences, > > Instutue of Solid State Physics,the Chinese Academy of Sciences, > > P.O.Box 1129, Hefei 230031, P.R.China > > Tel: 86-551-5591464-328(office) > > Fax: 86-551-5591434 > > Web: http://theory.issp.ac.cn</A <http://theory.issp.ac.cn/>> (website > > of our theory group) > > <http://theory.issp.ac.cn/>http://www.issp.ac.cn</A > > <http://www.issp.ac.cn/>> (website of our institute) > > ====================================================================== > > <http://www.issp.ac.cn/> > > > > ------------------------------------------------------------------------ > > Not got a Hotmail account? Sign-up now - Free > > <http://clk.atdmt.com/UKM/go/197222280/direct/01/> > > ------------------------------------------------------------------------ > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum _________________________________________________________________ Do you have a story that started on Hotmail? Tell us now http://clk.atdmt.com/UKM/go/195013117/direct/01/ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100308/587ce67d/attachment-0001.htm
