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EPL Association, European Physical Society Letters, 3(92), p. 37009, 2010

DOI: 10.1209/0295-5075/92/37009

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An ab initio investigation of how residual resistivity can decrease when an alloy is deformed

Distributing this paper is prohibited by the publisher
Distributing this paper is prohibited by the publisher

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Abstract

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. Copyright (C) EPLA, 2010