Lattice Dynamics of Dense Lithium

Year: 2012

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

Autors Affiliation: LENS, European Laboratory for Non-Linear Spectroscopy, University of Florence, I-50121 Florence, Italy; IPCF-CNR, UOS Roma, Piazzale Aldo Moro 5, 00185 Roma, Italy; Department of Physics, Dalhousie University, Halifax, Nova Scotia B3H 3J5, Canada; SUPA, School of Physics and Astronomy and Centre for Science at Extreme Conditions, The University of Edinburgh, Edinburgh, EH9 3JZ, United Kingdom; IFAC-CNR, Via Madonna del Piano 10, I-50019 Sesto Fiorentino, Italy; Lawrence Livermore National Laboratory, Livermore, California 94550, USA

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.

Journal/Review: PHYSICAL REVIEW LETTERS

Volume: 108 (5)      Pages from: 055501  to: 055501

More Information: We acknowledge the support from the U. K. Engineering and Physical Sciences Research Council; the EU Contract No. FP7 G. A. No 228334 laserlabeurope, and the Ente Cassa di Risparmio di Firenze supporting research at LENS under the grant \”Firenze Hydrolab\”; financial support from a Clarin fellowship (FICYT) and the Spanish MALTA Consolider Project; and support by Acenet, CFI, and LLNL for computational resources. Work at LLNL was prepared under Contract DE-AC52-07NA27344.
DOI: 10.1103/PhysRevLett.108.055501

Citations: 29
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