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Abstract:
A structural and magnetic investigation of NaFe4Sb12 with filled
skutterudite structure is carried out by means of powder neutron
diffraction and magnetization measurements in order to investigate the
magnetic ground state of this compound. The existence of an ordered
magnetic moment on the Fe site of approximate to 0.6 mu(B)/Fe atom is in
good agreement with magnetization data. The ratio between the number of
spins in the paramagnetic state and in the saturated ferromagnetic state
is approximate to 1.7, indicating some degree of delocalization of the
Fe magnetic moment in NaFe4Sb12. Theoretical density-functional
calculations of real-space spin-density maps are performed and compared
to the experimental findings of weak ferromagnetism in NaFe4Sb12 (T-C
approximate to 83 K). Diffuse magnetic scattering with polarized
neutrons revealed that a localized moment exists in the paramagnetic
phase which decreases with increasing temperature. The results are
discussed in the light of comparison with other intermetallic compounds.