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Abstract

The paper considers self-consistent calculation in the local density approximation (LDA) or the local spin density approximations when the spin-orbit interaction is of importance. Most of the calculations were made using various forms of linear band structure methods in particular the linear muffin tin orbital method (LMTO). Neither the z component of the spin nor of the orbital angular momentum is a good quantum number in the presence of spin-orbit interaction. The spin-orbit interaction connects spin-up and spin-down states in the basis set for the band structure calculation, therefore it is no longer possible to solve for spin-up and spin-down bands separately. The size of the matrix problem is doubled but the solutions are non-degenerate since time reversal symmetry is removed by the splitting between spin-up and spin down potentials. A more exact way to solve the relativistic band structure problem is through the spin polarized Dirac equation and several calculations of this type have been made which in general produce very similar results to the use of spin-orbit interaction.

Additional information

Authors: BROOKS M S S, JRC Karlsruhe (DE);JOHANSSON J, University of Uppsala, Institute of Physics (SE)
Bibliographic Reference: Article: Spin-Orbit Influenced Spectroscopies (1996)
Record Number: 199610487 / Last updated on: 1996-05-20
Category: PUBLICATION
Original language: en
Available languages: en