You may consider spin-orbital interaction in your calculation.<div>Without SOI, you will have direct gap for Bi2Te3. However, you can have in-direct gap with SOI.</div><div><br></div><div> <br>-- <br>Min Wook OH, Ph. D.,<br>
Korea Electrotechnology Research Institute (KERI)<br>Tel: 82-55-280-1638<br>Fax: 82-55-280-1590<br>E-mail: <a href="mailto:minwookoh@keri.re.kr">minwookoh@keri.re.kr</a><br><br><div class="gmail_quote">2011/7/18 hossien rahnama <span dir="ltr"><<a href="mailto:h_rahnamay@yahoo.com">h_rahnamay@yahoo.com</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font:inherit"><p style="text-align:left;margin:0cm 0cm 0pt;direction:ltr" class="MsoNormal">
<font size="3" face="Times New Roman">Dear Wien2k users,</font>
</p><p style="text-align:left;margin:0cm 0cm 0pt;direction:ltr" class="MsoNormal"><font size="3"><font face="Times New Roman">Hi, I have calculated band structure of Bi2Te3, but obtained band structure<span> is different with the others results in Gamma point. Obtained band structure is direct in Gamma point whereas calculated band structure by the others is indirect in other point. Please if it would be possible for you let me know how to solve this problem? Thank you,</span></font></font>
</p><p style="text-align:left;margin:0cm 0cm 0pt;direction:ltr" class="MsoNormal"><span><font size="3"><font face="Times New Roman">Best regards</font></font></span><span style="font-family:'Times New Roman';font-size:12pt">Rahnama</span><br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Min Wook OH, Ph. D.,<br>Korea Electrotechnology Research Institute (KERI)<br>Tel: 82-55-280-1638<br>Fax: 82-55-280-1590<br>E-mail: <a href="mailto:minwookoh@keri.re.kr">minwookoh@keri.re.kr</a><br>
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