Naslov
Lattice vibrations of the charge-transfer salt kappa-(BEDT-TTF)2Cu2(CN)3 : Comprehensive explanation of the electrodynamic response in a spin liquid compound

Autori
Dressel, M ; Lazić, Predrag ; Pustogow, A. ; Zhukova, E. ; Gorshunov, B. ; Schlueter, J.A. ; Milat, Ognjen ; Gumhalter, Branko ; Tomić, Silvia

Izvornik
Physical review. B. (2469-9950) 93 (2016), 8; 081201(R), 5

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
strongly correlated systems ; electronic structure ; lattice vibrations ; electrodynamics ; dft calculations

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

Napomena
Rad ima 5 stranica + 14 stranica supplement material.

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