Lattice dynamics in the spin-1/2 frustrated kagome compound herbertsmithite

Abstract

We investigate the lattice dynamics in the spin-1/2 frustrated kagome compound herbertsmithite ZnCu${}_3$(OH)${}_6$Cl${}_2$ by a combination of infrared spectroscopy measurements and ab initio density functional theory calculations, and provide an unambiguous assignment of infrared-active lattice vibrations involving in-plane and out-of-plane atom displacements in the kagome layers. Upon cooling, non-thermal red-shifts and broadening appear specifically for modes that deform the kagome layer or affect the Cu-O-Cu bond angles, thus creating pronounced modifications of the antiferromagnetic exchange coupling. Our results indicate the presence of a strong magnetoelastic coupling to the spin system. We discuss the effects of this coupling and its relation to recent experiments reporting a global symmetry reduction of the kagome lattice symmetry.

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• Specific Heat of the Kagome Antiferromagnet Herbertsmithite in High Magnetic Fields
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• Variational wave functions for the spin-Peierls transition in the Su-Schrieffer-Heeger model with quantum phonons
• Fluctuating Fractionalized Spins in Quasi Two-dimensional Magnetic V0.85PS3
• Combinatorial exploration of quantum spin liquid candidates in the herbertsmithite material family
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