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Simulation of EPR spectra of ThBr8:Pa4+in the incommensurable phase

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
140
Issue
1
Identifiers
DOI: 10.1016/0009-2614(87)80407-4

Abstract

Abstract At T = 95 K β-ThBr 4 undergoes a phase transition from a “high-temperature” phase with space group I 4 1/amd to a structure with an incommensurable distortion wave along the crystallographic c axis. The modulation can be thought to consist of a combination of a “rotation” and a “twist” of the Br atoms in the plane perpendicular to the c axis. The EPR spectra at 4.2 K show the characteristic “edge singularities” of the incommensurable structure. A model is presented for the simulation of these spectra. It is based on the “twist” component of the modulation only.

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