TY - JOUR
T1 - Interplay between localized and itinerant magnetism in Co-substituted FeGa 3
AU - Gippius, A. A.
AU - Verchenko, V. Yu
AU - Tkachev, A. V.
AU - Gervits, N. E.
AU - Lue, C. S.
AU - Tsirlin, A. A.
AU - Büttgen, N.
AU - Krätschmer, W.
AU - Baenitz, M.
AU - Shatruk, M.
AU - Shevelkov, A. V.
PY - 2014/3/31
Y1 - 2014/3/31
N2 - The evolution of the electronic structure and magnetic properties with Co substitution for Fe in the solid solution Fe1-xCoxGa3 was studied by means of ab initio band-structure calculations and nuclear spin-lattice relaxation 1/T1 of the 69,71Ga nuclei. The 69,71(1/T1) 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∼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/T1T1/2, 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 μB/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.
AB - The evolution of the electronic structure and magnetic properties with Co substitution for Fe in the solid solution Fe1-xCoxGa3 was studied by means of ab initio band-structure calculations and nuclear spin-lattice relaxation 1/T1 of the 69,71Ga nuclei. The 69,71(1/T1) 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∼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/T1T1/2, 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 μB/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.
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U2 - 10.1103/PhysRevB.89.104426
DO - 10.1103/PhysRevB.89.104426
M3 - Article
AN - SCOPUS:84898752737
VL - 89
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 10
M1 - 104426
ER -