Lattice vibrations of the charge-transfer salt kappa-(BEDT-TTF)2Cu2(CN)3 : Comprehensive explanation of the electrodynamic response in a spin liquid compound (CROSBI ID 224520)
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Podaci o odgovornosti
Dressel, M ; Lazić, Predrag ; Pustogow, A. ; Zhukova, E. ; Gorshunov, B. ; Schlueter, J.A. ; Milat, Ognjen ; Gumhalter, Branko ; Tomić, Silvia
engleski
Lattice vibrations of the charge-transfer salt kappa-(BEDT-TTF)2Cu2(CN)3 : Comprehensive explanation of the electrodynamic response in a spin liquid compound
The dimer Mott insulator $\kappa$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$ exhibits unusual electrodynamic properties. Numerical investigations of the electronic ground state and the molecular and lattice vibrations reveal the importance of the Cu$_2$(CN)$_3^-$ anion network coupled to the BEDT-TTF molecules: The threefold cyanide coordination of copper and linkage isomerism in the anion structure cause a loss of symmetry, frustration, disorder, and domain formation. Our findings consistently explain the temperature and po\-lar\-i\-zation-dependent THz and infrared measurements, reinforce the understanding of dielectric properties and have important implications for the quantum spin-liquid state, which should be treated beyond two-dimensional, purely electronic models.
strongly correlated systems ; electronic structure ; lattice vibrations ; electrodynamics ; dft calculations
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Podaci o izdanju
93 (8)
2016.
081201(R)
5
objavljeno
2469-9950
2469-9969
10.1103/PhysRevB.93.081201