[Wien] A question about density of states (DOS)

[Jihoon Park]

Dear Dr.Gerhard,


Thank you for your explanation, but I am still a little bit confused.
When draw DOS only for 3d state for MnAl, there is 3d state in the energy
range exceeding Fermi energy.
Does it mean that electrons can not be at a certain position that the energy
in that position is higher than Fermi energy in Brillouin zone at 0 K, even
thought it is still 3d state?
And at 0 K, the material cannot have conductivity, because there must not be
any electron above Fermi energy?
At higher temperature, electrons have higher energy and are able to move to
other positions in Brillouin zone or jump to higher energy level?

Plus, is it possible to estimate which energy state an electron would be in
terms of temperature?

All my best,
Jihoon Park



---------------------------------------------------------------------------------------------------------------------------------------
Dear Dr Gerhard Sir,

In this regard I also want to ask one question......
whether the unoccupied part of DOS can changes with temperature?......when
some part of the vacant states will become filled at higher
temperature...does the nature of the DOS (above Fermi energy) also gets
changed?
OR
whether the nature of DOS is constant (whether occupied or unoccupied) upon
variation of temperature....it only electrons which transfer from the
occupied part to the unoccupied part with rise in temperature?

with best regards,
On Sat, Aug 20, 2011 at 2:31 AM, Gerhard Fecher <fecher at
uni-mainz.de<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>>
wrote:

>* as there are occupied states (below eF) and unoccupied states (above eF)
*>*
*>* just remeber basic quantum mechanics and imagine an H atom, you have the
*>* occupied 1s and the unoccupied 2s, 2p, 3s, 3p, 3d, and so on
*>*
*>* Ciao
*>* Gerhard
*>*
*>* ====================================
*>* Dr. Gerhard H. Fecher
*>* Institut of Inorganic and Analytical Chemistry
*>* Johannes Gutenberg - University
*>* 55099 Mainz
*>* ________________________________________
*>* Von: wien-bounces at
zeus.theochem.tuwien.ac.at<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>[
*>* wien-bounces at
zeus.theochem.tuwien.ac.at<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>]&quot;
im Auftrag von &quot;Jihoon
*>* Park [jpark61 at
crimson.ua.edu<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
]
*>* Gesendet: Freitag, 19. August 2011 21:39
*>* Bis: wien at
zeus.theochem.tuwien.ac.at<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
*>* Betreff: [Wien] A question about density of states (DOS)
*>*
*>* Dear users,
*>*
*>*
*>* This question is not related to WIEN2k program, but physical concept
*>* itself.
*>* As I know, Fermi energy level is the maximum energy that an electron can
*>* have at 0 K,
*>* but why we can calculate DOS at the range of energy that exceed the
Fermi
*>* energy, even thought the calculations are always 0 K calculation?
*>*
*>*
*>* All my best,
*>* Jihoon Park
*>* _______________________________________________
*>* Wien mailing list
*>* Wien at zeus.theochem.tuwien.ac.at<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
*>* http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
*>*
*


-- 
Shamik Chakrabarti
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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