Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys
Abstract
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.
- Authors:
- Publication Date:
- Research Org.:
- 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 Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1619629
- Alternate Identifier(s):
- OSTI ID: 1506815
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Published Article
- Journal Name:
- npj Computational Materials
- Additional Journal Information:
- Journal Name: npj Computational Materials Journal Volume: 5 Journal Issue: 1; Journal ID: ISSN 2057-3960
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United Kingdom
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Mu, Sai, Samolyuk, German D., Wimmer, Sebastian, Troparevsky, Maria C., Khan, Suffian N., Mankovsky, Sergiy, Ebert, Hubert, and Stocks, George M. Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys. United Kingdom: N. p., 2019.
Web. doi:10.1038/s41524-018-0138-z.
Mu, Sai, Samolyuk, German D., Wimmer, Sebastian, Troparevsky, Maria C., Khan, Suffian N., Mankovsky, Sergiy, Ebert, Hubert, & Stocks, George M. Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys. United Kingdom. https://doi.org/10.1038/s41524-018-0138-z
Mu, Sai, Samolyuk, German D., Wimmer, Sebastian, Troparevsky, Maria C., Khan, Suffian N., Mankovsky, Sergiy, Ebert, Hubert, and Stocks, George M. Fri .
"Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys". United Kingdom. https://doi.org/10.1038/s41524-018-0138-z.
@article{osti_1619629,
title = {Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys},
author = {Mu, Sai and Samolyuk, German D. and Wimmer, Sebastian and Troparevsky, Maria C. and Khan, Suffian N. and Mankovsky, Sergiy and Ebert, Hubert and Stocks, George M.},
abstractNote = {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.},
doi = {10.1038/s41524-018-0138-z},
journal = {npj Computational Materials},
number = 1,
volume = 5,
place = {United Kingdom},
year = {Fri Jan 04 00:00:00 EST 2019},
month = {Fri Jan 04 00:00:00 EST 2019}
}
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Cited by: 41 works
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Figures / Tables:
Figure 1: Residual resistivity of Cantor-Wu alloys due to site-diagonal disorder (SDD) (blue bars), compared with experimental data (red bars)
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