STRUCTURAL AND MAGNETIC-PROPERTIES OF (FE1-XCOX)(3)P COMPOUNDS - EXPERIMENT AND THEORY

The structural and magnetic properties of (Fe1 - xCox)(3)P compounds h ave been investigated by means of X-ray and neutron diffraction experi ments, magnetization measurements and first-principles calculations. T he saturation magnetization and the transition temperature of (Fe1 - x Cox)(3)P decrease with increasing Co concentration. The magnetic momen ts on the three non-equivalent metal sites are determined in detail by means of neutron diffraction experiments and first principles calcula tions which both show that the moments on the different sites have dif ferent magnitudes and they all decrease with increasing Co concentrati on. Results show that Co preferentially substitutes Fe on two of the m etal sites. The complex behavior of the individual magnetic moments an d the site preferences of Co substitution are discussed in terms of at omic radius, coordination numbers, and eigenvalue sums. (C) 1998 Elsev ier Science B.V. All rights reserved.