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

Title Temperature dependent magnetic Compton profiles and first-principles strategies of quaternary half-Heusler alloy Co1-x Cu x MnSb(0?????x?????0.8).
Authors K. Kumar; A. Dashora; N.L. Heda; H. Sakurai; N. Tsuji; M. Itou; Y. Sakurai; B.L. Ahuja
Journal J Phys Condens Matter
DOI 10.1088/1361-648X/aa85f5
Abstract

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.

Citation K. Kumar; A. Dashora; N.L. Heda; H. Sakurai; N. Tsuji; M. Itou; Y. Sakurai; B.L. Ahuja.Temperature dependent magnetic Compton profiles and first-principles strategies of quaternary half-Heusler alloy Co1-x Cu x MnSb(0?????x?????0.8).. J Phys Condens Matter. 2017;29(42):425805. doi:10.1088/1361-648X/aa85f5

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