Evidence of scaling in the high pressure phonon dispersion relations of some elemental solids

Divya Srivastava, Umesh V. Waghmare, Subir K. Sarkar*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

1 Citation (Scopus)

Abstract

First principles searches are carried out for the existence of an asymptotic scaling law for the zero temperature phonon dispersion relation of several elemental crystalline solids in the high pressure regime. The solids studied are Cu, Ni, Pd, Au, Al, and Ir in the face-centered-cubic (fcc) geometry and Fe, Re, and Os in the hexagonal-close-packed (hcp) geometry. At higher pressures, the dependence of the scale of frequency on pressure can be fitted well by a power law. Elements with a given crystalline geometry have values of the scaling exponent very close to each other (0.32 for fcc and 0.27 for hcp - with a scatter below five percent of the average).

Original languageEnglish
Article number044714
JournalJournal of Chemical Physics
Volume141
Issue number4
DOIs
Publication statusPublished - 28 Jul 2014
MoE publication typeA1 Journal article-refereed

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