typical medium theory of substitutional disorder*

By merging single-site typical medium theory with density functional theory we introduce a self-consistent framework for electronic structure calculations of materials with substitutional disorder which takes into account Anderson localization. The scheme and details of the implementation are presented and applied to the hypothetical alloy Li_cBe_1-c, and the results are compared with those obtained with the coherent potential approximation. Furthermore we demonstrate that Anderson localization suppresses long-range magnetic order for a very low concentration of
(i) carbon impurities substituting oxygen in MgO_1-cC_c$, and
(ii) manganese impurities substituting magnesium in Mg_1-cMn_cO for the low-spin magnetic configuration.