Determining ethylene group disorder levels in κ-(BEDT-TTF)2Cu[N(CN)2]Br
A. U. B. Wolter, R. Feyerherm, E. Dudzik, S. Süllow, Ch. Strack, M. Lang, D. Schweitzer
Abstract
We present a detailed structural investigation of the organic superconductor κ-(BEDT-TTF)2Cu[N(CN)2]Br at temperatures T from 9 to 300 K. Anomalies in the T dependence of the lattice parameters are associated with a glass-like transition previously reported at Tg = 77 K. From structure refinements at 9, 100 and 300 K, the orthorhombic crystalline symmetry, space group Pnma, is established at all temperatures. Further, we extract the T dependence of the occupation factor of the eclipsed conformation of the terminal ethylene groups of the BEDT-TTF molecule. At 300 K, we find 67(2) %, with an increase to 97(3) % at 9 K. We conclude that the glass-like transition is not primarily caused by configurational freezing-out of the ethylene groups.
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