Journal article

Evolution of the charge density wave superstructure in ${\mathrm{ZrTe}}_{3}$ under pressure

  • Hoesch, Moritz Diamond Light Source, Harwell Campus, Didcot, United Kingdom
  • Garbarino, Gaston European Synchrotron Radiation Facility, Grenoble, France
  • Battaglia, Corsin Empa, Swiss Federal Laboratories for Materials Science and Technology, Laboratory Materials for Energy Conversion, Dübendorf, Switzerland
  • Aebi, Philipp Département de Physique and Fribourg Center for Nanomaterials, Université de Fribourg, Switzerland
  • Berger, Helmuth Ecole Polytechnique Federale de Lausanne, Institut de physique de la matière complexe, Lausanne, Switzerland
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  • Physical Review B. - 2016, vol. 93, no. 12, p. 125102
English The material ZrTe3 is a well-known example of an incommensurate periodic lattice distortion (PLD) at low temperatures due to a charge density wave (CDW). Previous studies have found a sharp boundary as a function of pressure between CDW below 5 GPa and bulk superconductivity above this value. We present a study of low-temperature-high-pressure single crystal x-ray diffraction along with ab initio density functional theory calculations. The modulation vector qCDW is found to change smoothly with pressure until the PLD is lost. Fermi surface calculations reproduce these changes, but neither these nor the experimental crystal lattice structure show a particular step change at 5 GPa, thus leading to the conclusion that the CDW is lost accidentally by tipping the balance of CDW formation in the Fermi surface nesting that stabilizes it.
Faculté des sciences
  • English
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