An equation of state based on the scaling properties of vibrational spectra at high pressure

Author:

Roy Umesh CORCID

Abstract

Abstract Inter-atomic forces control vibrational properties and elastic moduli of a solid material. Based on first-principle calculations, it has been reported that, for elemental solids, the Debye frequency scales linearly with density to high accuracy. Combining this with other scaling properties of vibrational frequencies at high pressure, a new equation of state is presented. The proposed equation of state is tested against available experimental data for various kinds of solids at high pressure and room temperature. The quality of description of the compressional behavior of solids by our proposed equation of state is, for many cases, comparable to or better than that with the Vinet EOS.

Funder

National Supercomputing Mission (NSM) of the Department of Science and Technology (DST) and the Department of Electronics and Information Technology (DeitY), India

Publisher

IOP Publishing

Subject

Condensed Matter Physics,Mathematical Physics,Atomic and Molecular Physics, and Optics

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