Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys

Mu, Sai; Samolyuk, German D.; Wimmer, Sebastian; Troparevsky, Maria C.; Khan, Suffian N.; Mankovsky, Sergiy; Ebert, Hubert; Stocks, George M.

doi:10.1038/s41524-018-0138-z

Title: Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys

Journal Article · Fri Jan 04 00:00:00 EST 2019 · npj Computational Materials

DOI:https://doi.org/10.1038/s41524-018-0138-z· OSTI ID:1619629

Mu, Sai; Samolyuk, German D.; Wimmer, Sebastian; Troparevsky, Maria C.; Khan, Suffian N.; Mankovsky, Sergiy; Ebert, Hubert; Stocks, George M.

Abstract Whilst it has long been known that disorder profoundly affects transport properties, recent measurements on a series of solid solution 3d -transition metal alloys reveal two orders of magnitude variations in the residual resistivity. Using ab initio methods, we demonstrate that, while the carrier density of all alloys is as high as in normal metals, the electron mean-free-path can vary from ~10 Å (strong scattering limit) to ~10 ³ Å (weak scattering limit). Here, we delineate the underlying electron scattering mechanisms responsible for this disparate behavior. While site-diagonal, spin dependent, potential scattering is always dominant, for alloys containing only Fe, Co, and Ni the majority-spin channel experiences negligible disorder scattering, thereby providing a short circuit, while for Cr/Mn containing alloys both spin channels experience strong disorder scattering due to an electron filling effect. Somewhat surprisingly, other scattering mechanisms—including displacement, or size effect, scattering which has been shown to strongly correlate with such diverse properties as yield strength—are found to be relatively weak in most cases.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1619629

Alternate ID(s):: OSTI ID: 1506815

Journal Information:: npj Computational Materials, Journal Name: npj Computational Materials Vol. 5 Journal Issue: 1; ISSN 2057-3960

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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Cited by: 41 works

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