Title: Negative g Factors, Berry Phases, and Magnetic Properties of Complexes
Authors: Chibotaru, Liviu ×
Ungur, Liviu #
Issue Date: 2012
Publisher: American Physical Society
Series Title: Physical Review Letters vol:109 issue:24
Article number: 246403
Abstract: It is shown that the sign of the product of three Zeeman splitting factors corresponding to the main magnetic axes defines the sign of the Berry phase of a (pseudo) spin in an applied magneic field. Ab initio calculations show that gXgYgZ<0 is often the case for lanthanide and transition metal complexes, while we prove that it is never achieved in S complexes with dominant second-order magnetic anisotropy. In the case of polynuclear compounds, it is argued that the signs of individual gi, i=X, Y, Z, on each metal site can be extracted from experiment.
ISSN: 0031-9007
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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