Berlin 2008 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 14: Electronic Properties I

MM 14.7: Vortrag

Montag, 25. Februar 2008, 18:15–18:30, H 0111

Residual resistance calculations of transition metal alloys including short-range ordering effects — •Stephan Lowitzer¹, Diemo Ködderitzsch¹, Hubert Ebert¹, Julie Staunton², and Paul Tulip² — ¹Department Chemie und Biochemie, LMU München, Butenandstr. 11, 81377 München — ²Department of Physics, University of Warwick, Coventry, CV4 7AL, United Kingdom

The residual resistance (at T = 0K) of Cu_xZn_1−x and Ag_xPd_1−x has been calculated. For these calculations the Kubo-Greenwood formalism has been employed. The electronic structure calculations are based on the fully relativistic Korringa-Kohn-Rostoker (KKR) band structure method in connection with the coherent potential approximation (CPA) alloy theory. To deal with short-range ordering effects we used the more elaborated nonlocal coherent potential approximation (NLCPA). Our results show the expected behavior of decreasing resistivity when one includes short-range ordering effects in good agreement with experimental data.