论文标题
CU上的六角形fen条纹的谐波网格建模（001）
Harmonic mesh modelling of hexagonal FeN stripes on Cu(001)
论文作者
论文摘要
Cu（001）上的六角形FEN单层显示出由黑暗和明亮条纹组成的条纹图案，如最近通过扫描隧道显微镜（STM）所观察到的。在这里，提出了一个谐波网格模型来解释这些结果。它使用具有两个不同波矢量的平面傅立叶分析来计算由晶格不匹配应力引起的Fe原子的小位移。移位的Fe原子三角形的面积被用作n原子中心突出的量度。正确选择波矢量可以看到（SQRT（3）X SQRT（3））有序的氮原子的显性突出。选择的波向量与Fe构型有关，该配置最小化晶格不匹配应力。该模型保持简单，因此仅涵盖了STM实验的最基本功能。讨论了模型的限制，并提出了扩展其扩展方式。
Hexagonal FeN monolayers on Cu(001) show a stripe pattern composed of dark and bright stripes as observed recently by scanning tunneling microscopy (STM). Here a harmonic mesh model is proposed to interpret those results. It uses a planar Fourier analysis with two different wave vectors to calculate small displacements of Fe atoms caused by lattice mismatch stress. The area of displaced Fe atom triangles is used as a measure for the protrusion of N atoms in their center. Proper selection of the wave vectors allows to visualize the dominant protrusions of (Sqrt(3) x Sqrt(3)) ordered nitrogen atoms. The wave vectors selected are related to Fe configurations which minimize lattice mismatch stress. The model is kept simple, so just the most basic features of the STM experiments are covered. The limits of the model are discussed and ways for extending it are proposed.
