Origin of the Incommensurate Modulation in Te-III and Fermi-Surface Nesting in a Simple Metal

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Abstract

Inelastic x-ray scattering experiments have been performed on incommensurately modulated Te-III at high pressure and reveal a pronounced phonon anomaly. The anomaly is reproduced in first-principles lattice dynamics calculations of unmodulated, body-centered monoclinic (bcm) Te, which is shown to be dynamically unstable. The calculated Fermi surface of bcm Te exhibits surprisingly effective nesting for a simple, electronically three-dimensional metal. The combined experimental and theoretical results corroborate recent proposals that the modulated crystal structure of Te-III and other chalcogens is the manifestation of a pressure-induced charge-density wave state.

Original languageEnglish
Article number035501
Pages (from-to)-
Number of pages4
JournalPhysical Review Letters
Volume102
Issue number3
DOIs
Publication statusPublished - 23 Jan 2009

Keywords

  • CHARGE-DENSITY-WAVE
  • HIGH-PRESSURE
  • INSTABILITY

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