Lowitzer, Stephan and Koedderitzsch, Diemo and Ebert, Hubert and Tulip, P.R. and Marmodoro, A. and Staunton, J.B. (2010) An ab initio investigation of how residual resistivity can decrease when an alloy is deformed. Europhysics Letters 92 (3), p. 37009.
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For a class of transition metal materials residual resistivity is observed to decrease when the materials are deformed and short-range order is removed. We investigate this counter-intuitive behavior with an ab initio theoretical study of the residual resistivity of several late transition metal-rich disordered alloys. The calculations are performed using the Korringa-Kohn-Rostoker (KKR) method applied to the Kubo-Greenwood formalism. The electronic effects arising from short-range ordering and clustering within the disorder are described using the non-local coherent-potential approximation (NL-CPA). We find a simple, general explanation of this K-state–like effect in terms of changes to the amplitude for d-electron hopping between majority late transition metal nearest-neighbor atoms at the Fermi energy.
|Date:||29 November 2010|
|Projects:||SFB 689: Spinphänomene in reduzierten Dimensionen|
|Subjects:||500 Science > 530 Physics|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||No|
|Deposited On:||21 Feb 2011 07:54|
|Last Modified:||21 Feb 2011 07:54|