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Study of quantum effects on atomic displacements in quartz

Fujishita, Hideshi*; Hayashi, Makoto*; Kanai, Takashi*; Yamada, Takahiro*; Igawa, Naoki ; Kihara, Kuniaki*

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.

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Category:Chemistry, Multidisciplinary

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