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 language | English |
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Article number | 044714 |
Journal | Journal of Chemical Physics |
Volume | 141 |
Issue number | 4 |
DOIs | |
Publication status | Published - 28 Jul 2014 |
MoE publication type | A1 Journal article-refereed |