[Wien] spin texture?

[Gerhard Fecher]

I guess you have some misconcept about  spin, spin magnetic moments, magnetic moments, spin polarisation etc..

There is no non-colinear magnetic moment in topological insulators

What you have to calculate is the expectation value P=<Psi|Sigma|Psi*>/<Psi|Psi*>  the for the Px, Py, Pz components of the spinpolarisation vector
where Sigma are the Pauli spin matrices
(consult the textbook "Polarized Electrons" by J. Kessler, Springer)

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]&quot; im Auftrag von &quot;Ruben Weht [ruweht at cnea.gov.ar]
Gesendet: Freitag, 30. September 2011 23:49
Bis: A Mailing list for WIEN2k users
Betreff: Re: [Wien] spin texture?

Dear Yundi,

Thanks for your reply.

Well, really I do not know, that is part of
my doubts....

The spin texture is in reciprocal space.
How can I manage that in real space?

   Ruben

> 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                       |
>> *===============================================*
>>
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*===============================================*
|  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                       |
*===============================================*

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