Anharmonicity of short-wavelength acoustic phonons in silicon at high temperatures

Abstract

Second-order Raman spectra corresponding to transverse acoustic phonons are studied in detail for crystalline Si over the temperature range 20–620°C. The largest relative softening and anharmonicity at the boundaries of the Brillouin zone were observed for the TA(X) mode. Extrapolation of the TA(X) frequency to high temperatures suggests that the Si lattice should be dynamically unstable at temperatures on the order of a doubled melting temperature. It is found that the main contribution to the softening of the transverse acoustic phonons in silicon comes from the anharmonicity and not from the volume expansion.