Dear Gabriele Sclauzero: It is very kind of you to give me so detailed explanation ?? Thanks again ??
On Fri, Oct 2, 2009 at 2:51 PM, Gabriele Sclauzero <sclauzer at sissa.it>wrote: > > > xirainbow wrote: > > Dear all? > > > > I know the example 22 give a transmission with spin-orbital effect. > > > > Is the spin-orbital effect considered as perturbation? > > No, it is not correct to say this in my point of view. The SO effect is > included through > the use of so-called fully-relativistic pseudo potentials, as it is done in > PWscf (see > Andrea Dal Corso and Adriano Mosca Conte, Phys. Rev. B 71 115106 (2005) for > details). > > > Does the pwcond.x use "Green function" method? > > No, it uses a scattering state approach, which integrates numerically a > scattering > equation in real space along the direction of transport (while in the > perpendicular > directions the PW basis of the PWscf calculation is retained). > See: > Hyoung Joon Choi and Jisoon Ihm, Phys. Rev. B 59, 2267 (1999) > > for the method originally developed for norm-conserving PPs and: > Andrea Dal Corso, Alexander Smogunov, and Erio Tosatti, Phys. Rev. B 74, > 045429 (2006) > > for the extension to US-PPs with spin-orbit coupling. > > > Can the pwcond.x deal with "voltage bias" condition? > > No, it is built within the Landauer-Buttiker linear response theory, which > gives the low > bias limit of the conductance. > > Regards, > > GS > > > > > ____________________________________ > Hui Wang > School of physics, Nankai University, Tianjin, China > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091002/3a09bb61/attachment.htm
