Physics
Scientific paper
Feb 1999
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1999rpph...62..237m&link_type=abstract
Reports on Progress in Physics, Volume 62, Issue 2, pp. 237-276 (1999).
Physics
32
Scientific paper
The review introduces the reader to a theoretical method describing the transport properties of dilute alloys on an ab initio basis. The calculations start from density or spin density functional theory using a Green function formalism to investigate the underlying electronic structure of the ideal and perturbed system on equal footing. The residual resistivity is calculated solving the quasiclassical Boltzmann equation. The theory is outlined and various methods and approximations developed to solve the transport equation are reviewed and compared with respect to accuracy and validity. It will be demonstrated that the theory is able to quantitatively account. The success and limitations of these calculations are discussed for a large variety of systems, non-magnetic and ferromagnetic, in comparison with experimental results. It will be shown that these calculations confirm empirical rules and concepts, elucidate the microscopic processes behind the trends and can be used to make a theoretical material design.
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