<div>Dear Dr.Gerhard,</div>
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<div>Thank you for your explanation, but I am still a little bit confused.</div>
<div>When draw DOS only for 3d state for MnAl, there is 3d state in the energy range exceeding Fermi energy.</div>
<div>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?</div>
<div>And at 0 K, the material cannot have conductivity, because there must not be any electron above Fermi energy?</div>
<div>At higher temperature, electrons have higher energy and are able to move to other positions in Brillouin zone or jump to higher energy level?</div>
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<div>Plus, is it possible to estimate which energy state an electron would be in terms of temperature?</div>
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<div>All my best,</div>
<div>Jihoon Park</div>
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<div>Dear Dr Gerhard Sir,<br><br>In this regard I also want to ask one question......<br>whether the unoccupied part of DOS can changes with temperature?......when<br>some part of the vacant states will become filled at higher<br>
temperature...does the nature of the DOS (above Fermi energy) also gets<br>changed?<br>OR<br>whether the nature of DOS is constant (whether occupied or unoccupied) upon<br>variation of temperature....it only electrons which transfer from the<br>
occupied part to the unoccupied part with rise in temperature?<br><br>with best regards,<br>On Sat, Aug 20, 2011 at 2:31 AM, Gerhard Fecher <<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">fecher at uni-mainz.de</a>> wrote:<br>
<br>><i> as there are occupied states (below eF) and unoccupied states (above eF)<br></i>><i><br></i>><i> just remeber basic quantum mechanics and imagine an H atom, you have the<br></i>><i> occupied 1s and the unoccupied 2s, 2p, 3s, 3p, 3d, and so on<br>
</i>><i><br></i>><i> Ciao<br></i>><i> Gerhard<br></i>><i><br></i>><i> ====================================<br></i>><i> Dr. Gerhard H. Fecher<br></i>><i> Institut of Inorganic and Analytical Chemistry<br>
</i>><i> Johannes Gutenberg - University<br></i>><i> 55099 Mainz<br></i>><i> ________________________________________<br></i>><i> Von: <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">wien-bounces at zeus.theochem.tuwien.ac.at</a> [<br>
</i>><i> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">wien-bounces at zeus.theochem.tuwien.ac.at</a>]&quot; im Auftrag von &quot;Jihoon<br></i>><i> Park [<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">jpark61 at crimson.ua.edu</a>]<br>
</i>><i> Gesendet: Freitag, 19. August 2011 21:39<br></i>><i> Bis: <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">wien at zeus.theochem.tuwien.ac.at</a><br></i>><i> Betreff: [Wien] A question about density of states (DOS)<br>
</i>><i><br></i>><i> Dear users,<br></i>><i><br></i>><i><br></i>><i> This question is not related to WIEN2k program, but physical concept<br></i>><i> itself.<br></i>><i> As I know, Fermi energy level is the maximum energy that an electron can<br>
</i>><i> have at 0 K,<br></i>><i> but why we can calculate DOS at the range of energy that exceed the Fermi<br></i>><i> energy, even thought the calculations are always 0 K calculation?<br></i>><i><br></i>><i><br>
</i>><i> All my best,<br></i>><i> Jihoon Park<br></i>><i> _______________________________________________<br></i>><i> Wien mailing list<br></i>><i> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">Wien at zeus.theochem.tuwien.ac.at</a><br>
</i>><i> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></i>><i><br></i><br><br><br>-- <br>Shamik Chakrabarti<br>Senior Research Fellow<br>
Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA<br></div>