期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 29, 期 42, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/1361-648X/aa85f5
关键词
magnetic x-ray scattering; Heusler alloys; density functional theory
资金
- Japan Society for the Promotion of Science (KAKENHI) [15K05978]
- SERB, New Delhi (India) [SR/S2/CMP-40/2011, EMR/2016/001400]
- University Grants Commission, New Delhi
- DST-SERB, New Delhi
- Grants-in-Aid for Scientific Research [15K05978] Funding Source: KAKEN
Temperature dependent experimental Compton profiles of quaternary alloys Co1-xCuxMnSb (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.
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