Studies of Vibrational Surface Modes in Ionic Crystals. II. Surface Enhancement of the Thermal Mean-Squares Amplitudes for the (001) Face of LiF, MgO, NaF, NaCl, NaI, RbF and RbCl.

摘要

The mean-square amplitudes (MSA) and mean-square velocities (MSV) of thermal vibrations have been calculated for the (001) surface of LiF, MgO, NaF, NaCl, NaI, RbF, and RbCl, using shell models. The high-temperature maximum surface enhancement of the MSA ranges from a low of about 1.5 for O(-) in MgO to a high of about 1.9 for Cl(-) in RbCl. The calculated surface enhancement of MSA for F(-) in LiF is 1.65.