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 und Stocks, George M. (2019): Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys. In: Npj Computational Materials, Bd. 5, 1

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 similar to 10 angstrom (strong scattering limit) to similar to 10(3) angstrom (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.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Chemie und Pharmazie > Department Chemie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 2057-3960
• Sprache: Englisch