<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title></title>
</head>
<style type="text/css">
<!--
#send_mail {
font-family: "Courier New";
background:#FFFFFF;
color:#000000;
}
#send_mail a {
color:#999999
}
#send_mail a:hover {
color:#0000FF
}
#send_mail div {
color:#000000;
font-family: "Courier New";
font-size:14px;
line-height:150%;
}
#send_mail .usersign {
line-height:100%;
}
-->
</style>
<body id="send_mail">
<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(黄良锋) 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 target=_blank>http://theory.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our theory group)
<BR>
<A href=http://www.issp.ac.cn target=_blank>http://www.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our institute)
<BR>
======================================================================
<BR>
</div>
</body>
</html>