Charge density waves and phonon-electron coupling in ZrTe${}_3$ investigated by Raman spectroscopy and first-principles calculations

Abstract

Charge-density-wave (CDW) order has long been interpreted as arising from a Fermi-surface instability in the parent metallic phase. While phonon-electron coupling has been suggested to influence the formation of CDW order in quasi-two-dimensional (quasi-2D) systems, the presumed dominant importance of Fermi-surface nesting remains largely unquestioned in quasi-1D systems. Here we show that phonon-electron coupling is also important for the CDW formation in a model quasi-1D system ZrTe${}_3$. Our joint experimental and computational study reveals that particular lattice vibrational patterns possess exceedingly strong coupling to the conduction electrons, and are directly linked to the lattice distortions associated with the CDW order. The dependence of the coupling matrix elements on electron momentum further dictates the opening of (partial) electronic gaps in the CDW phase. Since lattice distortions and electronic gaps are the defining signatures of CDW order, our result demonstrates that the conventional wisdom based on Fermi-surface geometry needs to be substantially supplemented by phonon-electron coupling even in the simplest quasi-1D case. As prerequisites for the CDW formation, the highly anisotropic electronic structure and strong phonon-electron coupling in ZrTe${}_3$ give rise to a distinct Raman scattering effect, namely, measured phonon linewidths depend on the direction of momentum transfer in the scattering process.

23 pages, 9 figures

References in corpus (13)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Fermi surface nesting and the origin of Charge Density Waves in metals
• Connection between charge-density-wave order and charge transport in the cuprate superconductors
• Two energy gaps and Fermi surface 'arcs' in NbSe2
• Lifshitz critical point in the cuprate superconductor YBa2Cu3Oy from high-field Hall effect measurements
• Charge density wave fluctuations in La2-xSrxCuO4 and their competition with superconductivity
• Alternative route to charge density wave formation in multiband systems
• Giant Kohn anomaly and the phase transition in charge density wave ZrTe_3
• Quasiparticle Interference, quasiparticle interactions and the origin of the charge density-wave in 2H-NbSe${}_2$
• Coexistence and competition of multiple charge-density-wave orders in rare-earth tri-telluride RTe3
• Coexistence of bulk superconductivity and charge density wave in CuxZrTe3
• A Raman study of the Charge-Density-Wave State in A${}_{0.3}$MoO${}_3$ (A = K,Rb)
• Soft vibrational mode associated with incommensurate orbital order in multiferroic CaMn${}_7$O${}_{12}$

Cited by in corpus (4)

• Raman spectroscopy of optical phonon and incommensurate charge density wave modes in 2H-TaSe2 exfoliated flakes
• Thermal transport and mixed valence in ZrTe${}_3$ doped with Hf and Se
• Detailed Electronic Structure of the Three-Dimensional Fermi Surface and its Sensitivity to Charge Density Wave Transition in ZrTe3 Revealed by High Resolution Laser-Based Angle-Resolved Photoemission Spectroscopy
• Enhanced Superconductivity and Electron Correlations in Intercalated ZrTe${}_3$