Electronic structure of the sigma-phase in paramagnetic Fe-V alloys. Experimental and theoretical study

The electronic structure of $\sigma$-phase Fe$_{100-x}$V$_x$ compounds with 33.3 $\le x \le 60.0$ was calculated from the charge self-consistent Korringa-Kohn-Rostoker method. For the first time, charge densities $\rho_A(0)$ and electric field gradients were determined at Fe nuclei, that occupy five nonequivalent lattice sites. The highest $\rho_A(0)$ values were found on sites A and D, and the lowest one on site B, the difference ranging between 0.162 and 0.174 $\it s$-like electrons per Fe atom for $x = 33.3$ and $x = 60$, respectively. The calculated quantities combined with experimentally determined site occupancies were successfully applied to analyze $^{57}$Fe M\"ossbauer spectra recorded on a series of 8 samples in a paramagnetic state.Comment: 4 pages, 4 figures, 15 reference

Anomalous behavior of the Debye temperature in Fe-rich Fe-Cr alloys

Debye temperature, $\Theta_D$, of Fe-rich Fe$_{100-x}$Cr$_x$ disordered alloys with $0\le x \le 22.3$ was determined from the temperature dependence of the central shift of M\"ossbauer spectra recorded in the temperature range of 60 -- 300 K. Its compositional dependence shows a maximum at $x \approx 5$ with a relative increase of $\sim 30$% compared to a pure iron. The composition at which the effect occurs correlates well with that at which several other quantities, e. g. the Curie temperature and the spin-wave stiffness coefficient, $D_0$, show their maxima, but the enhancement of $\Theta_D$ is significantly greater and comparable with the enhancement of the hyperfine field (spin-density of itinerant $s$-like electrons) in the studied system. The results suggest that the electron-phonon interaction is important in this alloy system

Short-Range Order in Fe-Rich Fe-Cr Alloys as Revealed by M\"ossbauer Spectroscopy

Distribution of Cr atoms in Fe_{100-x}Cr_x alloys with x \le 25 within the first two coordination shells, 1NN-2NN, around probe 57Fe atoms was studied by means of the M\"ossbauer Spectroscopy. Clear evidence was found that the distribution is characteristic of a given atomic configuration. Only the configurations with Cr atoms situated in 2NN exhibit a quiasi-random distribution, while those with Cr atoms present in 1NN shell and those with Cr atoms in both shells is evidently not random showing clastering or anticlastering features. These findings are novel and much more complete than the up-to-date knowledge according to which there is an inversion of the short-range order parameter at x = 11. The inversion in the present study was found only for the configuration with one Cr atom in 1NN. On average, Cr atoms are distributed almost randomly within the 1NN-2NN volume for x \eq ~10, and do cluster for larger x.Comment: 4 pages and 4 figure