Effect of atomic disorder on electronic, magnetic and electron-transport properties of Ti2MnAl
Atomic disorder, Heusler alloys, Spintronics
Journal of Alloys and Compounds
We report the combined computational and experimental study on the effect of atomic disorder on electronic, magnetic, and electron-transport properties of Ti2MnAl Heusler alloy. Ti2MnAl is predicted to exhibit spin-gapless semiconducting behavior in the inverted cubic crystal structure, while the regular cubic structure is essentially non-spin-polarized and non-magnetic. Here, we analyze three types of atomic disorder, namely, A2, B2, and D03, which are commonly observed in Heusler alloys. Our first-principles calculations indicate that all three types of disorder have a relatively small effect on a non-spin-polarized nature of Ti2MnAl in the regular cubic crystal (prototype Cu2MnAl) structure. At the same time, the inverted cubic phase (prototype Hg2TiCu) retains a significant degree of spin-polarization in A2 and B2 disordered structures. In particular, A2 and B2 types of disorder of the inverted cubic phase result in a spin-polarization of about 50% and 74%, respectively. The D03 disordered inverted phase has a significantly smaller spin-polarization of less than 10%. All considered structures align ferrimagnetically, except the B2-disordered and non-disordered regular cubic phases, which are non-magnetic. Our experimental results are consistent with the predicted properties of Ti2MnAl with partial A2 and B2 disorder types. While atomic disorder in a considered system should be minimized or avoided for practical implementations, its type may play a decisive role for potential applications in spin-based electronics.
Department of Physics
Original Publication Date
DOI of published version
Lukashev, Pavel V.; Lehmann, Zachary; Stuelke, Lukas; Filippone, Randall; Dahal, Bishnu; Valloppilly, Shah; Waybright, Jace; Pathak, Arjun K.; Huh, Yung; Shand, Paul M.; and Kharel, Parashu, "Effect of atomic disorder on electronic, magnetic and electron-transport properties of Ti2MnAl" (2022). Faculty Publications. 5170.