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Spin‐1 formalism for transitions within a non‐kramers doublet
Author(s) -
Bowden C. M.,
Meyer H. C.,
Donoho P. L.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560040724
Subject(s) - hamiltonian (control theory) , physics , formalism (music) , singlet state , perturbation (astronomy) , electron paramagnetic resonance , condensed matter physics , quantum mechanics , excited state , art , mathematical optimization , musical , mathematics , visual arts
A spin Hamiltonian formalism for effective spin‐1 is introduced for the purpose of describing EPR and UPR observations of transitions within a non‐Kramers doublet, where the doublet is split in zero applied magnetic field due to perturbations of the crystalline field symmetry by local random strains. To second order in the perturbation due to the strain distributions, an asymmetric line shape is predicted with broadening to lower resonance magnetic field. This compares favorably with the results of experiments. The results of this formalism are compared with the widely used but purely phenomenological effective spin‐1/2 formalism for non‐Kramers ions, which does not have the proper symmetry under time reversal. The effect of mixing of a low lying singlet state into the states of the doublet, particularly in terms of the predicted line shape characteristics, is presented.