The simple model that can describe structure and charge ordering in complex doped organic crystals is proposed. We consider the quasione-dimensional model of a crystal with chains (stacks) of flat BEDT-TTF molecules. In a chain of large molecules, small molecules fill every space between large molecules. The interaction between all molecules is described by the Lennard-Jones potential. It is shown that the small dopant molecules are in the double-well potential. It is shown that in case of the electrically neutral molecules at low temperatures, there is a fluctuating structural ordering: the small molecules group in pairs near a large molecule, and the lattice period in the fluctuation domain doubles. The structure of the boundary between the fluctuation domains is defined. In case of the charged molecules, correction to electric dipole interaction makes the system essentially three-dimensional, and there is ferroelectric ordering in a chain and an antiferroelectric one between the chains. Structure of the charge domains and domain boundaries are described.

中文翻译：

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重掺杂有机晶体排序

提出了可以描述复杂掺杂有机晶体中结构和电荷排序的简单模型。我们考虑具有扁平 BEDT-TTF 分子链（堆叠）的晶体的准维模型。在大分子链中，小分子充满了大分子之间的每一个空间。所有分子之间的相互作用由 Lennard-Jones 势描述。结果表明，掺杂剂小分子处于双阱电位。结果表明，在低温下电中性分子的情况下，存在波动的结构排序：小分子成对地靠近大分子，波动域中的晶格周期加倍。定义了波动域之间的边界结构。在带电分子的情况下，对电偶极子相互作用的校正使系统基本上是三维的，并且链中存在铁电有序性，链之间存在反铁电有序性。描述了电荷域和域边界的结构。