Electronic and Magnetic Properties of Febr2

Details Electronic and Magnetic Properties of Febr2 Electronic and Magnetic Properties of Febr2

2000-05-29

arxiv.org/abs/cond-mat/0005502v1

Phys. Rev. B 63 (2001) 172404

Physics

Condensed Matter

Strongly Correlated Electrons

11 pages in RevTex, 5 figures

Scientific paper

10.1103/PhysRevB.63.172404

Electronic and magnetic (e-m) properties of FeBr2 have been surprisingly well described as originating from the Fe2+ ions and their fine electronic structure. The fine electronic structure have been evaluated taking into account the spin-orbit (s-o) coupling, crystal-field and inter-site spin-dependent interactions. The required magnetic doublet ground state with an excited singlet at D=2.8 meV results from the trigonal distortion. This effect of the trigonal distortion and a large magnetic moment of iron, of 4.4 mB, can be theoretically derived provided the s-o coupling is correctly taking into account. The obtained good agreement with experimental data indicates on extremaly strong correlations of the six 3d electrons in the Fe2+ ion yielding their full localization and the insulating state. These calculations show that for the meaningful analysis of e-m properties of FeBr2 the spin-orbit coupling is essentially important and that the orbital moment (0.74 mB) is largely unquenched (by the off-cubic trigonal distortion in the presence of the spin-orbit coupling).

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