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Journal Article

Interplay between localized and itinerant magnetism in Co-substituted FeGa3


Baenitz,  M.
Michael Baenitz, Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Gippius, A. A., Verchenko, V. Y., Tkachev, A. V., Gervits, N. E., Lue, C. S., Tsirlin, A. A., et al. (2014). Interplay between localized and itinerant magnetism in Co-substituted FeGa3. Physical Review B, 89(10): 104426, pp. 1-8. doi:10.1103/PhysRevB.89.104426.

Cite as: http://hdl.handle.net/11858/00-001M-0000-0019-1651-E
The evolution of the electronic structure and magnetic properties with Co substitution for Fe in the solid solution Fe-1 xCoxGa3 was studied by means of ab initio band-structure calculations and nuclear spin-lattice relaxation 1/T1 of the (69),Ga-71 nuclei. The (69,71)(1/T-1) was studied as a function of temperature in a wide temperature range of 2-300 K for the concentrations x = 0.0, 0.5, and 1.0. In the parent semiconducting compound FeGa3, the temperature dependence of the (69)(1/T1) exhibits a huge maximum at about T similar to 6 K indicating the existence of in-gap states. The opposite binary compound, CoGa3, demonstrates a metallic Korringa behavior with 1/T1. T. In Fe0.5Co0.5Ga3, the relaxation is strongly enhanced due to spin fluctuations and follows 1/T1 proportional to T1/2, which is a unique feature of weakly and nearly antiferromagnetic metals. This itinerant antiferromagnetic behavior contrasts with ab initio band-structure calculations, where a ferromagnetic state with an ordered moment of 0.5 mu(B)/f.u. is predicted. The results are discussed in terms of the interplay between the localized and itinerant magnetism including in-gap states and spin fluctuations.