应用简单空间群的位置群确定可能的铁电态

    The use of Sites in Symmorphic Space Groups for Identification of Possible Ferroelectric Phases

    • 摘要: 提出了在空间群中定义两种类型的位置,并指出和可能的铁电态相对应的是简单空间群中第Ⅱ类位置群,其位置坐标只包含坐标变量和0。从国际x射线晶体学表中收集简单空间群中的第Ⅱ类位置群,就得到88种可能的顺电-铁电相变。

       

      Abstract: We suggest defining two types of sites in the space groups and it is shown that symmorphic space groups sites of type Ⅱ whose coordinates consist of only coordinate variables and zeros correspond to possible ferroelectric phases. By collecting the sites of type Ⅱ in the symmorphic space groups from International Tables for X-ray crystallography 88 possible para-ferroelectric phase transitions are obtained.

       

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