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Magnetization distribution and orbital moment in the nonsuperconducting chalcogenide compound K2Fe4Se5


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Orbital composition of Fermi surface is very important regarding the pairing mechanism and pairing strength for the Fe-based superconductors. Besides the superconducting properties, physical properties of the Fe-based superconductors are also strongly dependent on the orbital character and occupancies of the Fe d orbitals. We have undertaken magnetization distribution study of the nonsuperconducting compound K2Fe4Se5 using polarized neutron diffraction.

The maximum entropy reconstruction shows clearly that most of the magnetization is confined to the region around the iron atoms whereas there is no significant magnetization associated with either Se or K atoms. Multipolar refinement results show that the electrons which give rise to the paramagnetic susceptibility are confined to the Fe atoms and their distribution suggests that they occupy 3d t2g-type orbitals with around 66% in those of xz/yz symmetry. Detail modeling of the magnetic form factor indicates the presence of an orbital moment to the total paramagnetic moment of Fe2+.

S. Nandi et al., “Magnetization distribution and orbital moment in the nonsuperconducting chalcgenide compound K0.8Fe1.6Se2”, Phys. Rev. B 88, 184413 (2013).

Contact: Yixi Su

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