由序参量和层群对称性导出非极性材料畴界极性
Polarity of domain boundaries in nonpolar materials derived from order parameter and layer group symmetry
摘要：
晶体材料中的畴界和其他孪晶界正受到越来越多的关注。它们可以具有独特的功能特性，在许多情况下，这些特性在周围的散装材料中是不存在的。畴界的一个这样的性质可以是它们的电极性。到目前为止，对畴界极性的唯象认识要么基于序参量和朗道-金兹伯格自由能泛函的形式，要么基于畴界对称性的知识。在目前的工作中，我们显示的具体例子硫氰酸钾（KSCN）和腔隙尖晶石晶体，初级序参数的概念，可以帮助找到层组描述一个给定的域边界的最大可能的对称性。结合层组和序参量对称性，阐明了畴界极性的本质。
英文摘要：
Domain boundaries and other twin boundaries in crystalline materials are receiving increasing interest. They can carry unique functional properties, which in many cases are absent in the surrounding bulk material. One such property of domain boundaries can be their electric polarity. Phenomenological insight in the polarity of domain boundaries was so far based either on the knowledge of the order parameter and the form of Landau-Ginzburg free energy functional, or on the knowledge of the symmetry of the domain boundaries. In the present work we show on the concrete examples of potassium thiocyanate (KSCN) and lacunar spinel crystals, that the concept of the primary order-parameter can help to find the layer group describing the maximal possible symmetry of a given domain boundary. Combination of layer group and order parameter symmetries is then employed to clarify the nature of the polarity of domain boundaries.
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