Cyclic Single Atom Vertical Manipulation on a Nonmetallic Surface.
Cyclic Single Atom Vertical Manipulation on a Nonmetallic Surface.
复制标题
DOI：
10.1021/acs.jpclett.1c02271
复制
发表时间：
2021-11
期刊：
影响因子：
--
通讯作者：
David Abbasi-Pérez;Hongqian Sang;Filipe L. Q. Junqueira;A. Sweetman;J. Recio;P. Moriarty;L. Kantorovich
中科院分区：
文献类型：
--
作者：
David Abbasi-Pérez;Hongqian Sang;Filipe L. Q. Junqueira;A. Sweetman;J. Recio;P. Moriarty;L. Kantorovich
出于对能够在表面上控制操纵单原子的实验程序的探索，我们建立了一个计算策略，探索了GaAs（110）表面上广泛的单原子的周期性垂直操纵。原子力显微镜尖样品相互作用的第一性原理模拟进行考虑家庭的GaAs和Au终止尖端顶点与不同的结晶终止。我们确定了一个子集的提示，能够拿起和沉积吸附原子（镓，砷，铝，和Au）的任何次数，通过一个修改-恢复周期，“重置”的扫描探针的顶点，其原始结构在每个周期结束。操纵在横向和垂直尖端距离的一定窗口内变得成功，所述横向和垂直尖端距离被观察到对于提取和沉积每个原子是不同的。提出了一种对非金属表面单原子进行周期性操作的实用实验方案。
Motivated by the quest for experimental procedures capable of controlled manipulation of single atoms on surfaces, we set up a computational strategy that explores the cyclical vertical manipulation of a broad set of single atoms on the GaAs(110) surface. First-principles simulations of atomic force microscope tip-sample interactions were performed considering families of GaAs and Au-terminated tip apexes with varying crystalline termination. We identified a subset of tips capable of both picking up and depositing an adatom (Ga, As, Al, and Au) any number of times via a modify-restore cycle that "resets" the apex of the scanning probe to its original structure at the end of each cycle. Manipulation becomes successful within a certain window of lateral and vertical tip distances that are observed to be different for extracting and depositing each atom. A practical experimental protocol of special utility for potential cyclical manipulation of single atoms on a nonmetallic surface is proposed.