Wednesday, 23 May 2018 previous page »

Jurnal Komputasi
http://situs.jurnal.lipi.go.id/komputasi/

NUMERICAL TREATMENT OF OUTGOING WAVE FUNCTION TO AVOID THE DICHROIC EFFECT SINGULARITY

The magnetic dichroism effect can be obtained from the cross section difference between up and down spins. The calculation needs the results of phase shift, initial and final state wave functions, however when the phase shift is zero the transition matrix elements in atomic and crystal contribution would be singular, therefore we need some means of numerical treatment to handle the problem. In this paper, we describe the way to renormalize the wave function the we recalculate the matrix element of spin-orbit operator $\xi_{jl'}^{ss'}$, the atomic contribution $M_{01}^s$ and the cross section difference between up and down spins. We find that all functions behave regularly on all energy range even though the phase shift is zero. This result is in accordance with the MXD of FCC iron.