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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?<BR>
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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>
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<DIV>>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). <BR>Why do they should not exist? What's your computational parameters? <BR>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. <BR>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). <BR><BR></FONT><FONT color=#444444>> I realized this when I compared that to other graphene band structure calculations. <BR>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. <BR>Reference: Huang Liangfeng et al.,"Lattice dynamics of hydrogen-substituted graphene systems", Acta Physica Sinica vol. 58 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: <A href="http://theory.issp.ac.cn/">http://theory.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our theory group) <BR><A href="http://www.issp.ac.cn/">http://www.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our institute) <BR>====================================================================== <BR></DIV></FONT></A> <br /><hr />Not got 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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