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Isothermal Compressibility and Pressure Dependence of the Crystal Structures of the Superconducting Charge-Transfer Salt κ-(BEDT-TTF)<sub>2</sub>Cu(NCS)<sub>2</sub> [BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene]
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1997
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Crystal StructureSuperconducting MaterialEngineeringIsothermal CompressibilityChemistryPressure DependenceSuperconductivityQuantum MaterialsLow-temperature SuperconductivityMaterials ScienceHigh-tc SuperconductivityCrystallographyCrystal Structure DesignHigh-temperature SuperconductivityCondensed Matter PhysicsApplied PhysicsCrystal StructuresIsothermal Compressibility TensorPrincipal Components
From the pressure dependence of the lattice parameters measured by single-crystal X-ray diffraction at room temperature, the amplitudes and directions of the principal components of the isothermal compressibility tensor of κ-(BEDT-TTF) 2 Cu(NCS) 2 , bis(ethylenedithio)tetrathiafulvalene copper dithiocyanate, have been determined from 1 × 10 5 Pa to 12.9 × 10 5 kPa. The crystal structure has been determined at 1 × 10 5 Pa and 7.5 × 10 5 kPa. From the latter, the pressure dependence of the intermolecular electron-transfer integrals and the band structure have been calculated and compared with those at 1 × 10 5 Pa and 15 K.