Magnetization distribution in the tetragonal phase of BaFe_2As_2

Brown, P.J.; Adelmann, P.; Xiao, Y.; Brückel, T.; Stunault, A.; Chatterji, T.; Mittal, R.; Wolf, Th; Su, Y.

doi:10.1103/PhysRevB.82.024421

Journal Article

Magnetization distribution in the tetragonal phase of BaFe_2As_2

Brown, P. J. ; Chatterji, T. ; Stunault, A. ; Su, Y.FZJ* ; Xiao, Y.FZJ* ; Mittal, R.FZJ* ; Brückel, T.FZJ* ; Wolf, T. ; Adelmann, P.

2010
APS College Park, Md.

Physical review / B 82(2), 024421 (2010) [10.1103/PhysRevB.82.024421]

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Please use a persistent id in citations: http://hdl.handle.net/2128/10980 doi:10.1103/PhysRevB.82.024421

Abstract: We have determined the spatial distribution of the magnetization induced by a field of 9 T in the tetragonal phase of BaFe2As2 using polarized neutron diffraction. Magnetic structure factors derived from the polarization dependence of the intensities of Bragg reflections were used to make a maximum-entropy reconstruction of the distribution projected on the 110 plane. The reconstruction shows clearly that the magnetization is confined to the region around the iron atoms and that there is no significant magnetization associated with either As or Ba atoms. The distribution of magnetization around the Fe atom is significantly nonspherical with a shape which is extended in the < 111 > directions in the projection. These results show that the electrons which give rise to the paramagnetic susceptibility are confined to the Fe atoms their distribution suggests that they occupy 3d t(2g)-type orbitals with approximate to 60% in those of xy symmetry.

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