Temperature dependence of structural and electronic properties of the spin-liquid candidate kappa-(BEDT-TTF)2Cu2(CN)3

Abstract

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 kappa-(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.

8 pages, 9 figures

References in corpus (6)

• Mott Transition from a Spin Liquid to a Fermi Liquid in the Spin-Frustrated Organic Conductor kappa-(ET)2Cu2(CN)3
• Mott Transition, Antiferromagnetism, and d-wave Superconductivity in Two-Dimensional Organic Conductors
• Effective spin model for the spin-liquid phase of the Hubbard model on the triangular lattice
• Amperean Pairing Instability in the U(1) Spin Liquid State with Fermi Surface and Application to $\kappa -(BEDT-TTF{)}_{2}C{u}_2(CN{)}_3$
• Gapless quantum spin liquid, stripe and antiferromagnetic phases in frustrated Hubbard models in two dimensions
• Spin-triplet pairing instability of the spinon Fermi surface in a U(1) spin liquid

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