Determining ethylene group disorder levels in $κ$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Br

Details Determining ethylene group disorder levels in $κ$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Br Determining ethylene group disorder levels in $κ$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Br

2006-10-24

arxiv.org/abs/cond-mat/0610656v1

Physics

Condensed Matter

Materials Science

Scientific paper

We present a detailed structural investigation of the organic superconductor $\kappa$-(BEDT-TTF)$_2$Cu[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 $T_g$ = 77 K. From structure refinements at 9, 100 and 300 K, the orthorhombic crystalline symmetry, space group {\it 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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