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

Dressel, M; Lazić, Predrag; Pustogow, A.; Zhukova, E.; Gorshunov, B.; Schlueter, J. A.; Milat, Ognjen; Gumhalter, Branko; Tomić, Silvia (2016) Lattice vibrations of the charge-transfer salt kappa-(BEDT-TTF)2Cu2(CN)3 : Comprehensive explanation of the electrodynamic response in a spin liquid compound. Physical Review B, 93 (8). 081201(R)-1-081201(R)-5. ISSN 2469-9950

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Abstract

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.

Item Type: Article
Uncontrolled Keywords: strongly correlated systems; electronic structure; lattice vibrations; electrodynamics; dft calculations
Subjects: NATURAL SCIENCES > Physics
Divisions: Theoretical Physics Division
Projects:
Project titleProject leaderProject codeProject type
Jako korelirani elektroni u slojnim organskim materijalima i manganitima: niskofrekventna pobuđenja i nelinearna dinamika-SCEinLOMSilvia TomićIP-11-2013-1011HRZZ
Depositing User: Predrag Lazić
Date Deposited: 02 Feb 2017 10:41
Last Modified: 02 Feb 2017 12:59
URI: http://fulir.irb.hr/id/eprint/3354
DOI: 10.1103/PhysRevB.93.081201

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