[Wien] Unoccupied PDOS below Fermi Energy in telnes

=?euc-kr?B?vue5zsij?= yangmino at samsung.com
Sat Jan 20 06:43:16 CET 2007


Dear Wien user. 

I calculated Ir2O3 and it is metal.  And when I get the spectrum using TELNES, the peak near Fermi energy is very big as compared with experimental peak - it means there is a big density of state near Fermi Energy but the experiment reflect the small portion of the big density of states.

At ground state, all the state below Fermi Energy are filled. But at room temperature, some part of the DOS over Fermi Energy are filled, so there are some unoccupied states just below Fermi Energy. So possible we could see a small PDOS just below Fermi energy in experiment(EELS).

So I think it is possible to use the peaks near Fermi Energy to verify some defects levels.  Is it correct?

Thank you. 
 




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