Computer Experiment on Linear Chain of Atoms Lying in Double Minimum Potential
1972 年 33 巻 1 号 p. 1-5
詳細
1972 年 33 巻 1 号 p. 1-5
Computer experiments have been carried out on the model which simulates Takahasi model of BaTiO3 in the paraelectric phase. The lattice vibrations are studied on the monatomic linear chain in which each atom is in double minimum potential and is connected to nearest neighbor atoms by springs with the spring constant L. By tracing tracing the motions of all the atoms by Fourier analysis of the motions the k–ω dispersions are obtained. It has turned out that the increase of L induces many low frequency vibrations especially in the range of small k. The inherent relations to actual ferroelectric crystals are discussed.
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