The spin-liquid candidate kappa-(BEDT-TTF)2Cu2(CN)3 has been studied by measuring the uniaxial expansion coefficients alpha(i), the specific heat, and magnetic susceptibility. Special emphasis was placed on the mysterious anomaly around 6 K--a potential spin-liquid instability. Distinct and strongly anisotropic lattice effects have been observed at 6 K, clearly identifying this feature as a second-order phase transition. Owing to the large anomalies in alpha(i), the application of Grüneisen scaling has enabled us to determine the corresponding specific heat contribution and the entropy release. Comparison of the latter with available spin models suggests that spin degrees of freedom alone cannot account for the phase transition. Scenarios involving charge degrees of freedom are discussed.
Temperature-pressure phase diagram of the Kitaev hyperhoneycomb iridate β-Li_{2}IrO_{3} is explored using magnetization, thermal expansion, magnetostriction, and muon spin rotation measurements, as well as single-crystal x-ray diffraction under pressure and ab initio calculations. The Néel temperature of β-Li_{2}IrO_{3} increases with the slope of 0.9 K/GPa upon initial compression, but the reduction in the polarization field H_{c} reflects a growing instability of the incommensurate order. At 1.4 GPa, the ordered state breaks down upon a first-order transition, giving way to a new ground state marked by the coexistence of dynamically correlated and frozen spins. This partial freezing in the absence of any conspicuous structural defects may indicate the classical nature of the resulting pressure-induced spin liquid, an observation paralleled to the increase in the nearest-neighbor off-diagonal exchange Γ under pressure.
We investigate the effect that the temperature dependence of the crystal structure of a two dimensional organic charge-transfer salt has on the low-energy Hamiltonian representation of the electronic structure. For that, we determine the crystal structure of κ-(BEDT-TTF)2Cu2(CN)3 for a series of temperatures between T = 5 K and 300 K by single crystal X-ray diffraction and analyze the evolution of the electronic structure with temperature by using density functional theory and tight binding methods. We find a considerable temperature dependence of the corresponding triangular lattice Hubbard Hamiltonian parameters. We conclude that even in the absence of change of symmetry, the temperature dependence of quantities like frustration and interaction strength can be significant and should be taken into account.
In this work we explore the overall structural behaviour of the [(CH 3 ) 2 NH 2 ][Mn(HCOO) 3 ] multiferroic compound across the temperature range where its ferroelectric transition takes place by means of calorimetry, thermal expansion measurements and variable temperature powder and single crystal X-ray diffraction.The results clearly proof the presence of structural phase transition at T t ~187 K (temperature at which the dielectric transition occurs) that involves a symmetry change from R-3c to Cc, twinning of the crystals, a discontinuous variation of the unit cell parameters and unit cell volume, and a sharp first-order-like anomaly in the thermal expansion. In addition, the calorimetric results show a 3-fold order-disorder transition.The calculated pressure dependence of the transition temperature is rather large (dT t /dP = 4.6 ± 0.1 K/kbar), so that it should be feasible to shift it to room temperature using adequate thermodynamic conditions, for instance by application of external pressure.
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