イオン結晶のB1-B2構造相転移の問題点

概要

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Based on the supposition that the non-diffusive solid-solid phase transition of the first order is also triggered by soft phonon, a study was made. Orientation relation between B1 and B2 structures was found to exist for alkali halides across the pressureinduced transition. Calculations show instability of TA [100] mode of B1 structure at high pressures. Energy barriers opposing the transition are calculated to be low enough at the equilibrium pressure, enabling transition at 0°K to take place at a reasonable value of pressure in agreement with experimental results of Laukhin et al. [J. Cryst. Soc. Jpn. 26, <I>157</I> (1984) ] .
日本結晶学会の論文