<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div style="color: rgb(0, 0, 0);"><font size="2"><font face="georgia,serif">Hello all,</font></font></div>
<div style="color: rgb(0, 0, 0);"><font size="2"><font face="georgia,serif"><br></font></font></div><div style="color: rgb(0, 0, 0);"><font size="2"><font face="georgia,serif">I am trying to calculate the electronic bandgap for wurtzite ZnO using</font></font></div><div style="color: rgb(0, 0, 0);"><font size="2"><font face="georgia,serif">the attached plot of DoS (E), where the Fermi level is represented by a vertical<font><br></font></font></font></div><div style="color: rgb(0, 0, 0);"><font size="2"><font face="georgia,serif"><font>dashed-line and EV represents the valence band maximum.</font></font></font></div><font style="color: rgb(0, 0, 0);" size="2" color="#550055">
<div><font><font face="georgia,serif"><br></font></font></div><div><font><font face="georgia,serif">My question is, should I use EC1 or EC2 as my conduction band minimum?</font></font></div><div><font><font face="georgia,serif">If I use EC1, the bandgap is ~0.5eV but if I consider those states at</font></font></div><div><font><font face="georgia,serif">that point negligible and use EC2 then the bandgap is ~1.5eV. (NOTE:<br></font></font></div><div><font><font face="georgia,serif">the experimental bandgap is 3.36eV.)</font></font></div>
<div><font><font face="georgia,serif"><br></font></font></div><div><font><font face="georgia,serif">Thanks for the help.</font></font></div></font><br>-- <br>Izaak Williamson<br>Research Assistant<br>Physics Department<br>Boise State University<br><br><br> </div> </div> </div></body></html>