Transport properties of dilute alloys

Authors
Citation
I. Mertig, Transport properties of dilute alloys, REP PR PHYS, 62(2), 1999, pp. 237-276
Citations number
104
Categorie Soggetti
Physics
Journal title
REPORTS ON PROGRESS IN PHYSICS
ISSN journal
00344885 → ACNP
Volume
62
Issue
2
Year of publication
1999
Pages
237 - 276
Database
ISI
SICI code
0034-4885(199902)62:2<237:TPODA>2.0.ZU;2-5
Abstract
The review introduces the reader to a theoretical method describing the tra nsport 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 calculat ed solving the quasiclassical Boltzmann equation. The theory is outlined an d various methods and approximations developed to solve the transport equat ion are reviewed and compared with respect to accuracy and validity. It wil l be demonstrated that the theory is able to quantitatively account. The su ccess and limitations of these calculations are discussed for a large varie ty of systems, non-magnetic and ferromagnetic, in comparison with experimen tal results. It will be shown that these calculations confirm empirical rul es and concepts, elucidate the microscopic processes behind the trends and can be used to make a theoretical material design.