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Fujishita, Hideshi*; Hayashi, Makoto*; Kanai, Takashi*; Yamada, Takahiro*; Igawa, Naoki; Kihara, Kuniaki*
Journal of Physics and Chemistry of Solids, 71(9), p.1285 - 1289, 2010/09
Times Cited Count：3 Percentile：17.17(Chemistry, Multidisciplinary)Atomic displacements are order parameters for displacive structural phase transitions. The temperature evolution of Si atomic displacement in quartz was analyzed by studying the quantum expansion of the Landau potential. The expansion was found to accurately describe the evolution of the atomic displacement over the entire temperature interval. A proportional relationship between spontaneous strain and the square of the atomic displacement was observed over the entire temperature interval.
Hayashi, Makoto*; Kanai, Takashi*; Yamada, Takahiro*; Fujishita, Hideshi*; Igawa, Naoki; Kihara, Kuniaki*
no journal, ,
While the temperature change of the static order paramaters, such as an atom displacement and lattice destortion around the phase transition temperature is exlained by the classical Landau theory, the tempereture dependence of those parameters below the transition temperature was predicted by Salje. In this report, temperature dependence of strucural parameters of quartz was measured using the nuetron powder diffraction and analyzed by the Rietveld method to confirm the theory predicted by Salje. The quantitative analysis of present works gave a good agreement with the theory.
Hayashi, Makoto*; Fujishita, Hideshi*; Kanai, Takashi*; Yamada, Takahiro*; Igawa, Naoki; Kihara, Kuniaki*
no journal, ,
A phenomenological theory describes the temperature dependence of the order parameter Q, which is atomic shift in displacement structural phase transition and of strain e, which is coupled to Q, near a phase transition. Recently, Romero and Salje showed the strain obeys the quantum phenomenological theory below the temperature of the displacement structural phase transition. However, direct evaluation of the quantum phenomenological theory by measuring the order parameters in entire temperature is required to verify the effectiveness of the theory. We carried out the structural analysis of quartz by neutron powder diffraction in the temperature range of 10-250K. We found that the strain was in proportion to the squares of the displacement of the Si atom along the a-axis in the present temperature range. The effectiveness of the theory was directly verified by the atomic displacement.
