[Wien] Orbital angular momentum at Fermi surface

matui at ms.naist.jp matui at ms.naist.jp
Thu Jan 27 11:11:01 CET 2005


Dear Dr. Blaha and Dr. Gerhard,

Thank you for your help and comments.

Changing ISPLIT from 2 to 8 is exactly what I needed.
Now I calculated binding energy and orbital composition for each band at 40*40*40 k points.
It is a splendid code!

Yes, I have measured whole BZ by "two-dimensional" photoelectron spectroscopy.
Considering the transition matrix elements (I used linearly polarized synchrotron radiation),
I have plotted the density of px, py, pz at Fermi surface.

Similar things can applied to d bands.
However, several bands exist at iso-energy cut of valence band and that made interpretation of 
the experimental data complicated.
Output from WEIN2k seems to be quite powerful.

Thank you indeed.

Best regards,
Fumihiko Matsui




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