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Electronic and magnetic properties of FeBr 2

2001; American Physical Society; Volume: 63; Issue: 17 Linguagem: Inglês

10.1103/physrevb.63.172404

1095-3795

Z. Ropka, Rafał Michalski, R. J. Radwański,

Advanced Chemical Physics Studies

Electronic and magnetic properties of ${\mathrm{FeBr}}_{2}$ have been surprisingly well described as originating from the ${\mathrm{Fe}}^{2+}$ ions and their fine electronic structure. The fine electronic structure has been evaluated by taking into account the spin-orbit coupling, crystal-field and intersite spin-dependent interactions. The large magnetic moment of iron, of $4.4{\ensuremath{\mu}}_{B},$ can be theoretically derived provided the spin-orbit coupling is explicitly taken into account. These calculations show that for the meaningful analysis of properties of ${\mathrm{FeBr}}_{2}$ the spin-orbit coupling is essentially important and that the orbital moment $(0.74{\ensuremath{\mu}}_{B})$ is largely unquenched (by the off-cubic trigonal distortion in the presence of the spin-orbit coupling).