A single-crystal neutron diffraction study of the magnetization density in Fe<sub>2</sub>Zr
P Warren; J B Forsyth; G J McIntyre; N Bernhoeft; P Warren; Dept. of Phys., Durham Univ., UK; J B Forsyth; Dept. of Phys., Durham Univ., UK; G J McIntyre; Dept. of Phys., Durham Univ., UK; N Bernhoeft; Dept. of Phys., Durham Univ., UK
Журнал:
Journal of Physics: Condensed Matter
Дата:
1992-06-29
Аннотация:
A single-crystal neutron diffraction study of the cubic Laves phase Fe<sub>2</sub>Zr at 4.2 K has been made using both polarized and unpolarized incident beams. The samples were prepared from high-purity zirconium and iron and exhibited resistance ratios (<sub>rho 293</sub> <sub>K</sub>/<sub>rho 4.2 K</sub>) of typically 95, indicative of samples with good long-range order and homogeneity. The material has a Curie temperature of 604(2) K and a cell dimension of a=7.063(1) AA at ambient temperature in agreement with previous measurements for this composition by others. The saturation magnetization of 3.46(1) mu <sub>B</sub>/formula unit at 4.2 K is higher than previously observed. The magnetization density of the sample has been fitted by a weighted least-squares procedure to a multipole model of the iron moment based on free-atom wavefunctions for Fe<sup>2+</sup>. The symmetry at the iron site is 3m and the independent symmetry-allowed multipoles up to l=4 are Y<sub>00</sub>, Y<sub>20</sub>, Y<sub>40</sub> and Y<sub>43-</sub>: these have amplitudes 2.11(3), 0.03(2), 0.16(4) and -0.30(4) mu <sub>B</sub> respectively. The magnetization at the Zr site is negative and is modelled by a single spherical term, Y<sub>00</sub>=-0.32(5) mu <sub>B</sub>. The remaining magnetization of -0.44 mu <sub>B</sub>/formula unit is associated with diffuse density. These findings are discussed in the light of band structure calculations and previous studies of magnetic Laves phases.
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