Theoretical Calculations of Semiconductor Surfaces and Metal-Semiconductor Interfaces

半导体表面和金属-半导体界面的理论计算

• 批准号: 8819379
• 负责人: Kai Ming Ho
• 金额: $ 11.92万
• 依托单位: Iowa State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-06-01 至 1993-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8819379&HistoricalAwards=false
• 关键词: Theoretical; Calculations; Semiconductor; Surfaces; Metal

Their main objective is to study theoretically the surface structure and surface vibrational properties of clean and adsorbate covered semiconductor surfaces that have fundamental scientific importance as well as various microelectronics application. Their efforts will be directed towards systems which are hard to treat using plane-wave techniques that have traditionally been popular in investigations of semiconductor surfaces. A hierarchy of theoretical techniques will be used, ranging from accurate and computationally intensive state-of-the- art first-principles total energy calculations (which will be applied to tractable prototypical systems) to parametrized tight- binding and classical force constants descriptions (which will be applied to more complex systems).

他们的主要目的是从理论上研究清洁和吸附物的表面结构和表面振动特性，涵盖了具有基本科学重要性以及各种微电子施用的半导体表面。 他们的努力将针对那些很难使用平面波技术来处理的系统，这些技术传统上在对半导体表面的研究中很受欢迎。 将使用理论技术的层次结构，从准确和计算密集的最先进的原始原理总能量计算（将应用于可易于典型的原型系统）到参数化的紧密结合和经典的力量常数（这些型结合和经典的力常量（这些）描述将应用于更复杂的系统）。