4.6 Article

Strong electron-lattice coupling as the mechanism behind charge density wave transformations in transition-metal dichalcogenides

Journal

PHYSICAL REVIEW B
Volume 85, Issue 16, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.85.165142

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Funding

  1. NHMFL through NSF [DMR-0654118]
  2. State of Florida

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We consider a single band of conduction electrons interacting with displacements of the transitional ions. In the classical regime strong enough coupling transforms the harmonic elastic energy for an ion to the one of the well with two deep minima, so that the system is described in terms of Ising spins. Intersite interactions order spins at lower temperatures. Extension to the quantum regime is discussed. Below the charge density wave (CDW) transition the energy spectrum of electrons remains metallic because the structural vector Q and the Fermi surface sizes are not related. Large values of the CDW gap seen in the tunneling experiments correspond to the energy of the minima in the electron-ion two-well complex. The gap is defined through the density of states inside the electronic bands below the CDW transition. We focus mainly on electronic properties of transition-metal dichalcogenides.

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