Specific Heat and its Related Parameters in Si Nanoparticles

The specific heat for Si nanoparticles is calculated from the nanosize dependence of the Gruneisen parameter using the Gruneisen equation, which includes lattice thermal expansion, lattice volume, and bulk modulus. The results were comparable to the size dependent lattice volume under hydrostatic pressure. The reduction in specific heat from its bulk value to near zero for nanoparticles of critical size is comparably explained according to that of thermal expansion. The size dependent vibrational frequency derived from the nanosize dependent Gruneisen parameter, as well as the size dependent mean square atomic displacement and atomic spring constant, are used to evaluate the findings. Additionally, the nanosize dependent melting temperature and lattice anharmonicity are described using the Lennard-Jones equation principles. Lastly, whereas MSD decreases to zero at the critical size of solid nanoparticles, melting occurs at zero temperature.

Automated summary

The specific heat for Si nanoparticles is calculated using the Gruneisen equation, which takes into account lattice thermal expansion, lattice volume, and bulk modulus. The calculated results are comparable to the size dependent lattice volume under hydrostatic pressure. The reduction in specific heat to near zero at the critical size of nanoparticles can be explained by thermal expansion. The study also evaluates the size dependent vibrational frequency, mean square atomic displacement, atomic spring constant, melting temperature, and lattice anharmonicity in Si nanoparticles.