The nuclear quadrupole moment of 57Fe from microscopic nuclear and atomic calculations

Abstract

The nuclear quadrupole moment of the I=3/2- excited nuclear state of 57Fe at 14.41 keV, important in Mössbauer spectroscopy, is determined from the large-scale nuclear shell-model calculations for 57Fe and also from the electronic ab initio and density functional theory calculations including solid state and electron correlation effects for the molecules Fe(CO)_5 and Fe(C_5 H_5)_2. Both independent methods yield very similar results. The recommended value is 0.16(1) eb. The NQM of the isomeric 10+ in 54Fe has also been calculated. The new value (0.5 eb), consistent with the perturbed angular distribution data, is by a factor of two larger than the currently recommended value.

4 pages, submitted to Phys. Rev. Lett

References in corpus (2)

• Full $0\hslash \omega$ shell model calculation of the binding energies of the $1f_{7/2}$ nuclei
• Full pf shell study of A = 47 and A = 49 nuclei

Cited by in corpus (5)

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• Structure peculiarities of cementite and their influence on the magnetic characteristics
• Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mossbauer spectroscopy
• Revisiting Nuclear Quadrupole Moments in ${}^{39-41}$K Isotopes
• Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculations