--- On Thu, 4/23/09, ??? <yccheng.nju at gmail.com> wrote:
> From: ??? <yccheng.nju at gmail.com> > Subject: Re: [Pw_forum] Phonon calculation > I think you can consider this compound as semiconductor. > > As far as I know, a semi-metal can be considered as an > indirect semiconductor with a minus bandgap. Well, and then how the DOS (with a negative band gap) will look like? Please also provide your affiliation when you post to this forum. 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 > > 2009/4/23 mazouz moulay <mazouz_moulay at yahoo.fr> > > > Dear all, > > > > I perfomed a calculation on TlAs, the electronic band > shows a > > semi-metallic behavior, and I want to calculate the > phonons dispersion, in > > this case, we use the metallic option in the scf > input or we consider > > this compound as semiconductor in order to have the > dynamical properties > > (Born effective charge and the dielectric tensor)? > > > > Thanks you in advance. > > > > > > > > Moulay Mazouz > > D?partement de Physique > > Universit? des Sciences et de la Technologie > d'Oran. > > USTO. Oran. Alg?rie > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > -- > Y. C. Cheng > Department of Physics > Nanjing University > Nanjing 210093 > P. R. China > Tel: 86-25-83592907 > Email: yccheng.nju at gmail.com > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
