LAKHLOUFI, Sabine; GUIONNEAU, Philippe; LEMÉE-CAILLEAU, Marie-Hélène; ROSA, Patrick; LETARD, Jean-François

doi:10.1103/PhysRevB.82.132104

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LAKHLOUFI, Sabine
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

GUIONNEAU, Philippe
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

LEMÉE-CAILLEAU, Marie-Hélène
Institut Laue-Langevin [ILL]

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Physical Review B: Condensed Matter and Materials Physics (1998-2015). 2010, vol. 82, n° 13, p. 132104

American Physical Society

Résumé en anglais

The spin-crossover system [Fe(ptz)6](BF4)2 has been studied for more than 25 years and is used as a model system to the understanding of the eponymous phenomenon in solid-state materials. However, the structural properties of the low-spin phase formed at low temperature after a slow cooling have never been elucidated due to a splitting of the Bragg peaks. We report here a reinvestigation of this low-spin phase by single-crystal x-ray diffraction. This study demonstrates the perfect matching between the structural and magnetic transitions temperatures and hysteresis width through careful unit-cell temperature dependence. The Bragg splitting is also unambiguously associated to the spin transition. Above all, this work reveals a reversible doubling of the unit-cell parameters a and b corresponding to the spin transition. A preliminary solution for the crystal structure of the low-spin phase notably shows the potential major role of the deformation of the n-propyl groups in the physical behavior of this material.< Réduire

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Spin crossover

Phase transition

X-ray diffraction

Inorganic compounds

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Structural phase transition in the spin-crossover complex [Fe(ptz)<sub>6</sub>](BF<sub>4</sub>)<sub>2</sub> studied by x-ray diffraction

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