Understanding the effect of Ni and Co doping in magnetic properties of La0.7Ca0.3MnO3: Magnetic Compton spectroscopy and DFT strategies

H.S. Mund,Kishan H. Mali,Kishor Kumar,Shailja Tiwari,B.R. Bhagat, Y. Sakurai,H. Sakurai,Alpa Dashora,B.L. Ahuja

Journal of Magnetism and Magnetic Materials（2023）

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摘要

•Measured spin momentum densities for Ni/Co doped LCMO using synchrotron radiations.•Elaborated peculiarities of magnetism using experimental MCPs and DFT computations.•Revealed mixed valence states of Mn and its ferromagnetic interaction with Ni and Co.•Explored Z-in and Z-outJT distortion in LCMO and after Ni and Co doping.•Disseminated guidelines for interpretation of MCP data usingab-initiocomputations.

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关键词

Synchrotron radiation,Spin momentum density,Magnetic moment,Compton scattering,Density functional theory

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