ISSN:
1572-9540
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract We have carried out a first-principle Unrestricted Hartree-Fock (UHF) investigation of the hyperfine field, isomer shift and nuclear quadrupole interaction in Fe2O3. The cluster used in our work involved Fe+3 and its six nearest O−2 neighbours. The Madelung contribution to the potential due to the rest of the ions in the lattice was explicitly incorporated. Our results will be compared with experiment and the results of a recent investigation using an approximation (MSXαExtended Scheme) to the procedure.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF02072722
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