Origin of the incommensurate modulation in Te-III and fermi-surface nesting in a simple metal.
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.
Loa
I
I
SUPA, School of Physics and Astronomy, Centre for Science at Extreme Conditions, The University of Edinburgh, Mayfield Road, Edinburgh, EH9 3JZ, United Kingdom. I.Loa@ed.ac.uk
McMahon
M I
MI
Bosak
A
A