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Crystallography in Four and Five Dimensions as Applied to Multi-Sublattice (Composite) Structures

机译:四维和五维晶体学应用于多亚晶格(复合)结构

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摘要

Composite structures, containing two or more sublattices in one crystal, are of importance in the search for new materials. They are classified in terms of the interlattice matrix relating the sublattices, and by the use of chemical criteria. The use of superspace to interpret the diffraction pattern and perform calculations on electronic structure and lattice energy is referred to. The composite low-dimensional conductors (BEDT-TTF)Hg_(0.776)(SCN)2 and (BEDT-TTF)4Hg_(2.88)Br_8 (BEDT-TTF = bisethylene dithiotetrathiafulvalene) are discussed as examples. Of particular interest are the interaction between the sublattices and the change of structure and properties as a function of temperature.
机译:在一种晶体中包含两个或多个亚晶格的复合结构在寻找新材料时很重要。根据与子晶格相关的晶格矩阵,并使用化学标准对它们进行分类。涉及使用超空间来解释衍射图并进行电子结构和晶格能量的计算。作为示例,讨论了复合低维导体(BEDT-TTF)Hg_(0.776)(SCN)2和(BEDT-TTF)4Hg_(2.88)Br_8(BEDT-TTF =双亚乙基二硫代四硫富瓦烯)。特别感兴趣的是亚晶格之间的相互作用以及结构和性质随温度的变化。

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