Dear All,
I am trying to reproduce the results of some spin texture calculations
on topological insulators in the literature, specifically the work of Basak et
al in PRB84, 121401 (2011). They calculated the spin texture (the helical
nature) of the in-plane spin components in reciprocal space at the Fermi level
(surface) using Wien2K. I have reproduced the slab calculations and can see
the surface bands, however, I am unsure how to go about calculating the
expectation values for the spin in reciprocal space. I did note the presence
of a density matrix routine LAPWDM in section 7.7 of the user guide which
allows for the calculation of expectation values including spin, but only
apparently in real space within the atomic spheres. Any guidance as to how to
go about calculating a spin texture map (e.g. the projected spin direction on
the 2D fermi surface in reciprocal space of the above topologically insulating
structure) would be greatly appreciated. I have surveyed the literature, but
there are no details of how the spin texture maps were calculated in any of the
papers I have read. Thanks for any help in advance.
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