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Re: [abinit-forum] Spin-orbit interaction and spin degeneracy


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  • From: Matthieu Verstraete <mjv500@york.ac.uk>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Spin-orbit interaction and spin degeneracy
  • Date: Mon, 28 Jan 2008 10:43:15 +0000 (GMT)


Formally the spin is not a well defined quantity once you add spin orbit interaction. The spinor wavefunctions all have both spin up and spin down components, and you can't define the actual spin of the system, only the expectation value of the z Pauli matrix (as I recall this is not output in abinit, but is a natural byproduct). Obviously, this depends on your choice of axes!

The eigenfunctions for bands which are "spin degenerate" will be doubled. Others will have the "spin degeneracy" lifted, but that doesn't mean one band is spin up and the other spin down. Both are spinorial.

Matthieu


================================================================
Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14




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