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 >
