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用于外延分析的二维和三维晶体学晶格之间的相关性。II. 实验结果。

Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. II. Experimental results.

作者信息

Simbrunner Josef, Domke Jari, Sojka Falko, Jeindl Andreas, Otto Felix, Gruenewald Marco, Hofmann Oliver T, Fritz Torsten, Resel Roland, Forker Roman

机构信息

Division of Neuroradiology, Vascular and Interventional Radiology, Medical University Graz, Auenbruggerplatz 9, Graz, 8036, Austria.

Institute of Solid State Physics, Friedrich Schiller University Jena, Helmholtzweg 5, Jena, 07743, Germany.

出版信息

Acta Crystallogr A Found Adv. 2022 May 1;78(Pt 3):272-282. doi: 10.1107/S2053273322002170. Epub 2022 Apr 11.

Abstract

While the crystal structure of the polymorph phase can be studied in three dimensions conveniently by X-ray methods like grazing-incidence X-ray diffraction (GIXD), the first monolayer is only accessible by surface-sensitive methods that allow the determination of a two-dimensional lattice. Here, GIXD measurements with sample rotation are compared with distortion-corrected low-energy electron diffraction (LEED) experiments on conjugated molecules: 3,4;9,10-perylenetetracarboxylic dianhydride (PTCDA), 6,13-pentacenequinone (P2O), 1,2;8,9-dibenzopentacene (trans-DBPen) and dicyanovinyl-quaterthiophene (DCV4T-Et2) grown by physical vapor deposition on Ag(111) and Cu(111) single crystals. For these molecular crystals, which exhibit different crystallographic lattices and crystal orientations as well as epitaxial properties, the geometric parameters of the three-dimensional lattice are compared with the corresponding geometry of the first monolayer. A comparison of the monolayer lattice from LEED investigations with the multilayer lattices determined by rotated GIXD experiments reveals a correlation between the first monolayer and the epitaxial growth of three-dimensional crystals together with lattice distortions and re-alignment of molecules. The selected examples show three possible scenarios of crystal growth on top of an ordered monolayer: (i) growth of a single polymorph, (ii) growth of three different polymorphs; in both cases the first monolayer serves as template. In the third case (iii) strong lattice distortion and distinct molecular re-alignments from the monolayer to epitaxially grown crystals are observed. This is the second part of our work concerning the correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. In the first part, the theoretical basis has been derived which provides a mathematical relationship between the six lattice parameters of the three-dimensional case and the three parameters obtained for the two-dimensional surface unit cell, together with their orientation to the single-crystalline substrate. In this work, a combined experimental approach of GIXD and LEED is introduced which can be used to investigate the effect of the epitaxial monolayer on the structural properties of molecular crystals grown on top.

摘要

虽然多晶型相的晶体结构可以通过掠入射X射线衍射(GIXD)等X射线方法方便地在三维空间中进行研究,但第一层仅可通过允许确定二维晶格的表面敏感方法来获取。在此,将样品旋转的GIXD测量结果与共轭分子上的畸变校正低能电子衍射(LEED)实验进行比较:通过物理气相沉积在Ag(111)和Cu(111)单晶上生长的3,4;9,10-苝四羧酸二酐(PTCDA)、6,13-并五苯醌(P2O)、1,2;8,9-二苯并并五苯(反式-DBPen)和二氰基乙烯基-四噻吩(DCV4T-Et2)。对于这些表现出不同晶体学晶格、晶体取向以及外延性质的分子晶体,将三维晶格的几何参数与第一层的相应几何结构进行比较。通过LEED研究得到的单层晶格与通过旋转GIXD实验确定的多层晶格的比较揭示了第一层与三维晶体外延生长之间的相关性,以及晶格畸变和分子的重新排列。所选示例展示了在有序单层之上晶体生长的三种可能情况:(i)单一多晶型的生长,(ii)三种不同多晶型的生长;在这两种情况下,第一层都作为模板。在第三种情况(iii)中,观察到从单层到外延生长晶体的强烈晶格畸变和明显的分子重新排列。这是我们关于用于外延分析的二维和三维晶体学晶格之间相关性工作的第二部分。在第一部分中,已经推导了理论基础,该基础提供了三维情况下六个晶格参数与二维表面晶胞获得的三个参数之间的数学关系,以及它们相对于单晶衬底的取向。在这项工作中,引入了GIXD和LEED的联合实验方法,可用于研究外延单层对在其之上生长的分子晶体结构性质的影响。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a49/9062826/8ce3a4481164/a-78-00272-fig1.jpg

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