Temperature dependent magnetic Compton profiles and first-principles strategies of quaternary half-Heusler alloy Co1-x Cu x MnSb(0  ⩽  x  ⩽  0.8).

Author(s) Kumar, K.; Dashora, A.; Heda, N.L.; Sakurai, H.; Tsuji, N.; Itou, M.; Sakurai, Y.; Ahuja, B.L.
Journal J Phys Condens Matter
Date Published 2017 Oct 25

Temperature dependent experimental Compton profiles of quaternary alloys Co1-x Cu x MnSb (x  =  0.0, 0.2, 0.6 and 0.8) when decomposed into constituent profiles show that the sp-electron spin polarization is antiferromagnetically coupled to Mn-3d moments. The orbital magnetic moments derived from combination of magnetic Compton profiles (MCPs) and magnetization measurements are found to be small. Moreover, the first-principles full potential-linearized augmented plane wave (FP-LAPW) calculations have been performed to validate the experimental investigations of spin moments and half-Heusler properties. Present experimental and theoretical work show major role of Mn atoms in building-up the absolute spin moments. Our MCP data and spin-projected density of states derived from FP-LAPW computations show an increase in sp-d interaction in conduction region on increasing the Cu concentration. Further, Ruderman-Kittel-Kasuya-Yosida-type hybridization and antiferromagnetic superexchange interactions are witnessed in the reported alloys.

DOI 10.1088/1361-648X/aa85f5
ISSN 1361-648X
Citation J Phys Condens Matter. 2017;29(42):425805.

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