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

doi:10.1103/PhysRevLett.108.055501

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

School of Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

Abstract / Description of output

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 language	English
Article number	055501
Number of pages	5
Journal	Physical Review Letters
Volume	108
Issue number	5
DOIs	https://doi.org/10.1103/PhysRevLett.108.055501
Publication status	Published - 30 Jan 2012

Keywords / Materials (for Non-textual outputs)

PRESSURE
GPA
SUPERCONDUCTIVITY
PSEUDOPOTENTIALS
TRANSITION
SODIUM

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10.1103/PhysRevLett.108.055501

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@article{0eacdc5add57452da6895c520a595c6f,

title = "Lattice Dynamics of Dense Lithium",

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.",

keywords = "PRESSURE, GPA, SUPERCONDUCTIVITY, PSEUDOPOTENTIALS, TRANSITION, SODIUM",

author = "Gorelli, {F. A.} and Elatresh, {S. F.} and Guillaume, {C. L.} and M. Marques and Ackland, {G. J.} and M. Santoro and Bonev, {S. A.} and E. Gregoryanz",

year = "2012",

month = jan,

day = "30",

doi = "10.1103/PhysRevLett.108.055501",

language = "English",

volume = "108",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

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TY - JOUR

T1 - Lattice Dynamics of Dense Lithium

AU - Gorelli, F. A.

AU - Elatresh, S. F.

AU - Guillaume, C. L.

AU - Marques, M.

AU - Ackland, G. J.

AU - Santoro, M.

AU - Bonev, S. A.

AU - Gregoryanz, E.

PY - 2012/1/30

Y1 - 2012/1/30

N2 - 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.

AB - 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.

KW - PRESSURE

KW - GPA

KW - SUPERCONDUCTIVITY

KW - PSEUDOPOTENTIALS

KW - TRANSITION

KW - SODIUM

U2 - 10.1103/PhysRevLett.108.055501

DO - 10.1103/PhysRevLett.108.055501

M3 - Article

SN - 0031-9007

VL - 108

JO - Physical Review Letters

JF - Physical Review Letters

IS - 5

M1 - 055501

ER -

Lattice Dynamics of Dense Lithium

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Keywords / Materials (for Non-textual outputs)

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