Lowitzer, S., Koedderitzsch, D., Ebert, H., Tulip, P. R., Marmodoro, A. and Staunton, J. B.. (2010) An ab initio investigation of how residual resistivity can decrease when an alloy is deformed. EPL (Europhysics Letters), Vol.92 (No.3). Article: 37009. ISSN 0295-5075

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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

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science > Physics
Journal or Publication Title:	EPL (Europhysics Letters)
Publisher:	Institute of Physics Publishing Ltd.
ISSN:	0295-5075
Date:	November 2010
Volume:	Vol.92
Number:	No.3
Number of Pages:	5
Page Range:	Article: 37009
Identification Number:	10.1209/0295-5075/92/37009
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Funder:	DFG, Engineering and Physical Sciences Research Council (EPSRC)
Grant number:	SPP 1145, SFB 689
URI:	http://wrap.warwick.ac.uk/id/eprint/4723

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