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

Autor:	Diemo Ködderitzsch, Hubert Ebert, Julie B. Staunton, Alberto Marmodoro, P. R. Tulip, S. Lowitzer
Rok vydání:	2010
Předmět:	Materials science Condensed matter physics Alloy Ab initio General Physics and Astronomy Fermi energy engineering.material Condensed Matter::Materials Science Formalism (philosophy of mathematics) Residual resistivity Amplitude Transition metal engineering Electronic effect
Zdroj:	EPL (Europhysics Letters). 92:37009
ISSN:	1286-4854 0295-5075
DOI:	10.1209/0295-5075/92/37009
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::03d287acbdc8b72673aa656785ab7ed9 https://doi.org/10.1209/0295-5075/92/37009 Zobrazit plný text záznamu