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A Muffin‐Tin Impurity Model and Its Application to 3d Transition Metal Impurities in Aluminium
Author(s) -
Mrosan E.,
Lehmann G.,
Woittennek H.
Publication year - 1974
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220640117
Subject(s) - impurity , tin , ionized impurity scattering , condensed matter physics , scattering , materials science , aluminium , electrical resistivity and conductivity , fermi level , phase (matter) , metal , transition metal , chemistry , physics , metallurgy , electron , optics , biochemistry , organic chemistry , quantum mechanics , catalysis
A muffin‐tin impurity model for the scattering properties of substitutional impurities is applied to 3d transition metal impurities in Al. The relative potential between impurity muffin‐tin and host muffin‐tins is chosen in such a way that a sum rule for the scattering phase shifts is fulfilled to obtain selfconsistent screening of the impurity charge. Calculations of the change in the electronic density of states and residua, l resistivity are presented, which show a characteristic behaviour due to the fact that a virtual bound state is crossing the Fermi level of the host.