Theoretical study of High-pressure compression of Nano Sized Germanium and Silicon

Abstract

High pressures have been employed to examine the pressure-induced structural and mechanical characteristics of nanocrystalline Ge and Si with different grain sizes in the current work. Volume collapse in nano and bulk phases at low and high pressures was determined by authors using the isothermal equation of states Vineet, Birch-Murnaghan, and Suzuki based on a molecular dynamic’s simulation model. The acquired result was found that the high-pressure properties depend meaningfully on the particle sizes, the 4.1-nm Si nanoparticle skilled a higher decrease in volume value than the diameter of 10.3 nm but 13nm Ge particle shows a smaller reduction in volume than 49nm and 100nm sizes nanoparticles. The results of the various EOSs agreed with one another, suggesting that the EOSs of bulk materials may be used in the computations of nanoparticles.