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Title: Evidence of scaling in the high pressure phonon dispersion relations of some elemental solids
Authors: Srivastava, Divya
Waghmare, Umesh V.
Sarkar, Subir K.
Keywords: Physical Chemistry
Atomic, Molecular & Chemical Physics
Elastic Properties
1st-Principles Theory
HCP Iron
Issue Date: 2014
Publisher: American Institute of Physics
Citation: Srivastava, D; Waghmare, UV; Sarkar, SK, Evidence of scaling in the high pressure phonon dispersion relations of some elemental solids. Journal of Chemical Physics 2014, 141 (4), 44714
Journal of Chemical Physics
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). (C) 2014 AIP Publishing LLC.
Description: Restricted Access
ISSN: 0021-9606
Appears in Collections:Research Articles (Umesh V. Waghmare)

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