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Thanks very much for the information. I will be checking the paper.<BR>
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Regards<BR> <BR>> Date: Mon, 8 Mar 2010 09:29:42 -0500<BR>> From: stewart@cnf.cornell.edu<BR>> To: pw_forum@pwscf.org<BR>> Subject: Re: [Pw_forum] Graphene band structure<BR>> <BR>> Dear Elie,<BR>> <BR>> Even with a single layer of graphene, you can get an high energy<BR>> "interlayer" band. This has been seen recently in near-edge x-ray<BR>> absorption experiments on graphene. See the following paper for details:<BR>> <BR>> "Near-Edge X-Ray Absorption Fine-Structure Investigation of Graphene",<BR>> D. Pacile et al., Phys. Rev. Lett, 101, 066806 (2008)<BR>> http://dx.doi.org/10.1103/PhysRevLett.101.066806<BR>> <BR>> Best regards,<BR>> <BR>> Derek<BR>> <BR>> ################################<BR>> Derek Stewart, Ph. D.<BR>> Senior Research Associate<BR>> ** New Webpage **<BR>> http://sites.google.com/site/dft4nano/<BR>> 250 Duffield Hall<BR>> Cornell Nanoscale Facility (CNF)<BR>> Ithaca, NY 14853<BR>> stewart (at) cnf.cornell.edu<BR>> (607) 255-2856<BR>> <BR>> <BR>> <BR>> <BR>> Elie Moujaes wrote:<BR>> > Thanks again for your reply. I will have a look at these papers. But<BR>> > my case is simply monolayer graphene and there is no<BR>> > intercalation..Can these bands still exist?<BR>> ><BR>> ><BR>> > Reagrds<BR>> ><BR>> ><BR>> ><BR>> ><BR>> > ------------------------------------------------------------------------<BR>> > To: pw_forum@pwscf.org<BR>> > From: lfhuang@theory.issp.ac.cn<BR>> > Date: Sat, 6 Mar 2010 12:46:33 +0800<BR>> > Subject: Re: [Pw_forum] Graphene band structure<BR>> ><BR>> > >three different bands that should not exist (namely the ones starting<BR>> > at 4.8 , 8.8 and one of the lines at 10 on the >y axis).<BR>> > Why do they should not exist? What's your computational parameters?<BR>> > Actually, these bands exist! These bands correspond to the so called<BR>> > "interlayer bands" in the intercalated graphite compounds (GICs) and<BR>> > responsible for the superconductivity phenomenom in GICs.<BR>> > Reference: G. Csanyi et al., "The role of the interlayer state in the<BR>> > electronic structure of superconducting graphite intercalated<BR>> > compounds", Nature Physics vol. 1 page 42-45 (2005).<BR>> ><BR>> > > I realized this when I compared that to other graphene band<BR>> > structure calculations.<BR>> > What's yours references for the graphene band structure? From a<BR>> > chinese paper in early 2009, you can verify the existence of the<BR>> > "interlayer bands" in the Fig. 1 therein. In addition, the reference<BR>> > [20] and [21] therein may be also useful for you.<BR>> > Reference: Huang Liangfeng et al.,"Lattice dynamics of<BR>> > hydrogen-substituted graphene systems", Acta Physica Sinica vol. 58<BR>> > page s306-312 (2009).<BR>> ><BR>> > Best Wishes!<BR>> > Yours Sincerely<BR>> > L.F.Huang<BR>> > ------<BR>> > ======================================================================<BR>> > L.F.Huang(»ÆÁ¼·æ) DFT and phonon physics<BR>> > ======================================================================<BR>> > Add: Research Laboratory for Computational Materials Sciences,<BR>> > Instutue of Solid State Physics,the Chinese Academy of Sciences,<BR>> > P.O.Box 1129, Hefei 230031, P.R.China<BR>> > Tel: 86-551-5591464-328(office)<BR>> > Fax: 86-551-5591434<BR>> > Web: http://theory.issp.ac.cn</A <http://theory.issp.ac.cn/>> (website<BR>> > of our theory group)<BR>> > <http://theory.issp.ac.cn/>http://www.issp.ac.cn</A<BR>> > <http://www.issp.ac.cn/>> (website of our institute)<BR>> > ======================================================================<BR>> > <http://www.issp.ac.cn/><BR>> ><BR>> > ------------------------------------------------------------------------<BR>> > Not got a Hotmail account? Sign-up now - Free<BR>> > <http://clk.atdmt.com/UKM/go/197222280/direct/01/><BR>> > ------------------------------------------------------------------------<BR>> ><BR>> > _______________________________________________<BR>> > Pw_forum mailing list<BR>> > Pw_forum@pwscf.org<BR>> > http://www.democritos.it/mailman/listinfo/pw_forum<BR>> > <BR>> <BR>> <BR>> _______________________________________________<BR>> Pw_forum mailing list<BR>> Pw_forum@pwscf.org<BR>> http://www.democritos.it/mailman/listinfo/pw_forum<BR> <br /><hr />Do you want a Hotmail account? <a href='http://clk.atdmt.com/UKM/go/197222280/direct/01/' target='_new'>Sign-up now - Free</a></body>
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