The evolution of the electronic structure and magnetic properties with Co substitution for Fe in the solid solution FeCoGa was studied by means of ab initio band-structure calculations and nuclear spin-lattice relaxation of the Ga nuclei. The was studied as a function of temperature in a wide temperature range of 2–300 K for the concentrations , 0.5, and 1.0. In the parent semiconducting compound FeGa, the temperature dependence of the exhibits a huge maximum at about K indicating the existence of in-gap states. The opposite binary compound, CoGa, demonstrates a metallic Korringa behavior with . In FeCoGa, the relaxation is strongly enhanced due to spin fluctuations and follows , 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 /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.
1 October 2012 in Journal of Solid State Chemistry
The spatial spin-modulated structure in BiFeO3 is retained and the anharmonicity parameter decreases with crystallite size decreasing, followed by a change in the anisotropy type from an “easy axis” to an “easy plane” at about 50 nm.
BaVO contains magnetic V() ions and also nonmagnetic V() ions. The V ions are arranged in a coupled Majumdar-Ghosh chainlike network. A Curie-Weiss fit of our magnetic susceptibility data in the temperature region of K yields a Curie constant cmK/mole V and an antiferromagnetic Weiss temperature . The (T) curve shows a broad maximum at K indicative of short-range order (SRO) and an anomaly corresponding to long-range order (LRO) at K. The value of the “frustration parameter” () suggests that the system is moderately frustrated. Above the LRO temperature, the experimental magnetic susceptibility data match well with the coupled Majumdar-Ghosh (or Heisenberg) chain model with the ratio of the nnn (next-nearest neighbor) to nn (nearest neighbor) magnetic coupling and K. In a mean-field approach when considering the interchain interactions, we obtain the total interchain coupling to be about 16 K. The LRO anomaly at is also observed in the specific heat data and is not sensitive to an applied magnetic field up to 90 kOe. A V NMR signal corresponding to the nonmagnetic vanadium was observed. Anomalies at 6 K were observed in the variation with temperature of the V NMR linewidth and the spin-lattice relaxation rate indicating that they are sensitive to the LRO onset and fluctuations at the magnetic V sites. The existence of two components (one short and another long) is observed in the spin-spin relaxation rate data in the vicinity of . The shorter component seems to be intimately connected with the magnetically ordered state. We suggest that both magnetically ordered and nonlong-range-ordered (non-LRO) regions coexist in this compound below the long-range-ordering temperature.