Since the spin of the system changes like a spiral. The magnetic moment is non-collinear. The quantization axis changes. So it is necessary to do a non-collinear calculation.
Yundi On Fri, Sep 30, 2011 at 1:24 PM, Ruben Weht <ruweht at cnea.gov.ar> wrote: > Dear Wien users, > > I am trying to reproduce some papers regarding the > electronic structure of topological insulators > and system with an important Rashba interaction > (for instance BiTeI, Bi2Se3, etc). > > On many of them people calculate the electronic band > structure (on a slab for a topological insulator > or in bulk for a Rashba system) and showed what > is called "spin texture", a non-collinear spin > arrangement along the resulting Fermi surface > (most of the time near a Dirac cone). > Almost all of those papers said that the electronic > structure was calculated using Wien2k. > > In general those system have a very strong > spin-orbit coupling so, naively, I thought that > spins up and down were completely mixed. > > Does anyone know how to calculate/plot that > property? > Do I have to use the non-collinear code, Wienncm?. > > Thanks a lot for your help, > > Ruben > > *===============================================* > | Ruben Weht | > | Departmento de Fisica - CNEA | > | Avda. General Paz y Constituyentes | > | 1650 - San Martin - ARGENTINA | > | Email: ruweht at cnea.gov.ar | > | Tel: (54-11) 6772-7104 | > | Fax: (54-11) 6772-7121 | > *===============================================* > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110930/60c0135c/attachment.htm>