Interface Formation with Atoms, Ions, and Clusters

原子、离子和团簇的界面形成

基本信息

批准号：
9216178
负责人：
James Chelikowsky
金额：
$ 30.05万
依托单位：
University of Minnesota-Twin Cities
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
1993
资助国家：
美国
起止时间：
1993-04-01 至 1997-09-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=9216178&HistoricalAwards=false
关键词：
Interface Formation Atoms Ions Clusters

项目摘要

The goal of this research is to explore interfacial phenomena associated with the deposition of atoms, ions, and clusters on semiconductor surfaces. This work combines scanning tunneling microscopy with ab initio molecular dynamics simulations to correlate interfacial structures and properties with the dynamics of condensation ions and small clusters are deposited directly on the substrate using laser-assisted supersonic expansion. The experimental studies are unique because the energy, the trajectory, and the number of atoms in the cluster are controlled and because scanning tunneling microscopy is used to image the resultant surface and overlayer structure. The theoretical studies are unique because new computational techniques are implemented for determining the structure and interaction parameters of atoms and clusters on surfaces. These studies should allow analysis of growth conditions with quantum interatomic forces and testing of the predictions with surface analysis techniques. The proposed studies are important because the focus on properties of complex non-equilibrium systems where chemical and physical properties at the interface change over microscopic scales. Interface formation during non-equilibrium vacuum deposition is one of the challenging problems in the present day solid state sciences. Because the goal of this research is to correlate interface properties and interface structure, the successful realization of the proposed work will have significant impacts on the nano-fabrication of new electronic devices and the understanding of other surface related processes such as catalysis.

这项研究的目的是探索与原子，离子和簇在半导体表面上的沉积相关的界面现象。这项工作将扫描隧道显微镜与从头算分子动力学模拟相结合，以将界面结构和性能与冷凝离子的动力学相关联，而小簇则使用激光辅助的超音速膨胀直接沉积在基板上。实验研究之所以独特，是因为群集中的能量，轨迹和原子数得到了控制，并且因为扫描隧道显微镜用于对结果表面和叠加层结构进行成像。理论研究是独一无二的，因为实施了新的计算技术来确定表面上原子和簇的结构和相互作用参数。这些研究应允许用量子间力分析生长条件，并通过表面分析技术对预测进行测试。拟议的研究很重要，因为重点是复杂的非平衡系统的性质，在界面处的化学和物理性质在微观尺度上变化。非平衡真空沉积过程中的界面形成是当今固态科学中具有挑战性的问题之一。因为这项研究的目的是将界面属性和界面结构相关联，因此所提出的工作的成功实现将对新电子设备的纳米制作产生重大影响，以及对其他相关过程（例如催化）的理解。