A Theoretical Study of Adsorbate Mobility and Quantum Dynamics Induced by Excitation with Short Laser Pulses

短激光脉冲激发引起的吸附迁移率和量子动力学的理论研究

• 批准号: 9112926
• 负责人: Horia Metiu
• 金额: --
• 依托单位: University of California-Santa Barbara
• 依托单位国家: 美国
• 项目类别: Continuing grant
• 财政年份: 1991
• 资助国家: 美国
• 起止时间: 1991-08-01 至 1995-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9112926&HistoricalAwards=false
• 关键词: Theoretical; Study; Adsorbate; Mobility; Quantum

Professor Horia Metiu is supported by a grant from the Theoretical and Computational Chemistry Program to perform theoretical simulations of silicon growth on surfaces and time dependent quantum theoretical treatments of the effects of ultrashort laser pulses on molecular solutes. In the first area of research, Metiu will use correlation function theory to calculate the rates of all the elementary kinetic steps involved in the epitaxial growth process: the sticking of atoms to the surface, their jumps from one surface site to another, the dependence of the jumping rate on local configuration of adsorbed atoms, and the final sites involved in the jump. These rates will be used in a kinetic Monte Carlo program to simulate the kinetics of epitaxial growth of silicon. In the second area of research, Metiu will develop methods capable of analyzing the results of novel experiments with ultrashort pulses which are used to probe the dynamics of solute molecules. He will also explore the theoretical consequences of coherence and interference in generating laser signals that are very sensitive to the quantum dynamics. %%% This research will provide an important molecular level understanding of epitaxial growth on semiconductor surfaces and of techniques for laser control of chemical processes in solution.

Horia Metiu 教授得到理论和计算化学项目的资助，对表面硅生长进行理论模拟，并对超短激光脉冲对分子溶质的影响进行时间相关的量子理论处理。 在第一个研究领域，Metiu将使用相关函数理论来计算外延生长过程中涉及的所有基本动力学步骤的速率：原子粘附到表面、它们从一个表面位置跳跃到另一个表面位置、跳跃速率对吸附原子局部构型的依赖性以及跳跃所涉及的最终位置。 这些速率将用于动力学蒙特卡罗程序来模拟硅外延生长的动力学。 在第二个研究领域，Metiu 将开发能够分析超短脉冲新颖实验结果的方法，这些超短脉冲用于探测溶质分子的动力学。 他还将探索生成对量子动力学非常敏感的激光信号时相干性和干涉的理论后果。 %%% 这项研究将为半导体表面外延生长和溶液中化学过程的激光控制技术提供重要的分子水平理解。