[Wien] various calculated MoS2 bandgap

jack lory rezashid at yahoo.com
Wed Aug 15 13:29:06 CEST 2007


Dear users

I am Calculating MoS2-Bulk Band gap.When i calculate DOS , i get band
 gap 0.8 and when i do
 band structure calculation , i find band gap 2.2 . The experimental band
 gap for MoS2-Bulk is  1.78 .

     *  I don't know why DOS results differ from BAND STRUCTURE results?

 please give me your advice.
 Regards.


       
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