Please use this identifier to cite or link to this item:
|Title:||Determination of the electronic configuration of the ground state of iron dimer through analysis of fe57m mössbauer data||Authors:||Mishra, Kailash C.
Duff, Kenneth J.
Kelires, Pantelis C.
|Issue Date:||1986||Publisher:||APS American Physical Society||Source:||Physical Review B,1986, Volume 34, Issue 7, Pages 4529-4536||Abstract:||The hyperfine properties of Fe57m in the diatomic iron molecule have been analyzed using the self-consistent-field unrestricted Hartree-Fock procedure. The Fe57m quadrupole interaction and isomer shift strongly support g3 as the ground state for the Fe2 molecule, with g7 leading to less satisfactory agreement with experimental data but better than for other possible states. The analysis of the magnetic hyperfine-field tensor also appears to provide support for the g3 model through agreement with the evidence from Mössbauer studies that the direction of the maximum component is perpendicular to the internuclear axis, the direction of the maximum component of the electric-field-gradient tensor. The magnitudes of the hyperfine-field components are however underestimated by a factor of about 2 compared to experiment. Possible sources that could contribute to this departure are discussed.||URI:||http://ktisis.cut.ac.cy/handle/10488/7686||ISSN:||0163-1829||DOI:||10.1103/PhysRevB.34.4529||Rights:||© 1986 The American Physical Society.|
|Appears in Collections:||Άρθρα/Articles|
Show full item record
checked on Apr 20, 2017
WEB OF SCIENCETM
checked on Apr 26, 2017
Page view(s) 5012
checked on Apr 29, 2017
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.