Phys. Rev. Lett. 69, 2110–2113 (1992)First-principles calculations of the spin-orbit scattering cross section of sp impurities in MgReceived 15 April 1992; published in the issue dated 5 October 1992 The spin-orbit scattering of 4sp and 5sp impurities in a Mg host is investigated theoretically by self-consistent local-density-functional theory. The calculated spin-orbit scattering cross sections σSO agree with the available experimental results for low valent impurities. For higher valent impurities we predict a p resonance behavior. For Cu and Ag impurities our results point to errors of density-functional theory in estimating the d contribution to σSO. In total a consistent interpretation of the trends is given. © 1992 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.69.2110
DOI:
10.1103/PhysRevLett.69.2110
PACS:
71.55.-i, 71.70.Ej
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