Lattice Dynamics of Dense Lithium

F. A. Gorelli*, S. F. Elatresh, C. L. Guillaume, M. Marques, G. J. Ackland, M. Santoro, S. A. Bonev, E. Gregoryanz

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

We report low-frequency high-resolution Raman spectroscopy and ab-initio calculations on dense lithium from 40 to 200 GPa at low temperatures. Our experimental results reveal rich first-order Raman activity in the metallic and semiconducting phases of lithium. The computed Raman frequencies are in excellent agreement with the measurements. Free energy calculations provide a quantitative description and physical explanation of the experimental phase diagram only when vibrational effect are correctly treated. The study underlines the importance of zero-point energy in determining the phase stability of compressed lithium.

Original languageEnglish
Article number055501
Number of pages5
JournalPhysical Review Letters
Volume108
Issue number5
DOIs
Publication statusPublished - 30 Jan 2012

Keywords

  • PRESSURE
  • GPA
  • SUPERCONDUCTIVITY
  • PSEUDOPOTENTIALS
  • TRANSITION
  • SODIUM

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