Dear Nicki, > I just want to know whether and how it is possible to shift > the Fermi energy before constructing the Fermi surface?!
> I just want to know whether and how it is possible to shift > the Fermi energy before constructing the Fermi surface?! I should note there is NO Fermi level, thus, no Fermi surface for semiconductors!!! Please think about why. Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com --- On Mon, 12/21/09, Nicki Frank Hinsche <nicvok at freenet.de> wrote: > From: Nicki Frank Hinsche <nicvok at freenet.de> > Subject: [Pw_forum] Shifting Fermi energy for Fermi surface calculations > To: pw_forum at pwscf.org > Date: Monday, December 21, 2009, 5:04 PM > Hi there, > > I just want to know whether and how it is possible to shift > the Fermi? > energy before constructing the Fermi surface?! See the > following? > scenario: > > 1. making a scf calculation for a semiconductor - the Fermi > energy? > will be in the energy gap (thats all right) and there will > be (of? > course) no Fermi surface > 2. I want to simulate doping for some tests, just by > shifting the? > Fermi energy a bit into either valence or conduction band - > there? > would be a fermi surface - this is what I want > > ...so,how can I shift the Fermi energy (manually) after a > scf? > calculation to an energy quit near the original one and > calculate the? > Fermi surface afterwards? > > ..thanks a lot > > Nicki > ------------------------------------------------------------- > Nicki Frank Hinsche, Dipl. Phys. > Institut f?r Physik - Theoretische Physik, > Martin-Luther-Universit?t Halle-Wittenberg, > Von-Seckendorff-Platz 1, Raum 1.07 > D-06120 Halle/Saale, Germany > Tel.: ++49 345 5525460 > ------------------------------------------------------------- > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
