Fundamental Research in Plasma Enhanced Chemical Vapor Deposition of Hydrogenated Amorphous Silicon and Nanocystalline Silicon Films from SiH4/H2/Ar Discharges

9713280 Aydil该项目结合了综合的理论和实验方法，系统地研究了SiH 4/H2/Ar辉光放电PECVD过程中等离子体处理条件对a-Si：H和nc-Si：H薄膜结构和性能的影响。该项目旨在获得有关决定薄膜特性的关键内部等离子体变量的基本信息，如结晶度，晶体尺寸，氢含量和缺陷密度。我们的目标是阐明沉积膜的性质是如何影响的化学反应分子片段和离子到达膜表面的身份和流量。原子尺度的计算机模拟将被用来研究自由基和分子碎片的相互作用（例如，SiH、SiH 2、SiH 3、H）从等离子体中与薄膜表面接触。分子动力学，分子静力学，晶格动力学和蒙特卡罗模拟器的基础上最近开发的原子间势能函数，将被用来研究等离子体表面相互作用。此外，混合非晶格动力学蒙特卡罗模拟将用于在一系列处理条件下在现实时间尺度上对沉积过程进行全尺度动态模拟。计算机模拟的结果将与实验数据进行比较，并从模拟中获得的见解用于指导新的实验研究和设计新的沉积策略。这项研究活动跨越了不同学科之间的传统界限，包括物理，化学，工程和材料科学，以解决具有高技术相关性的领域的前沿问题。研究的性质还提供了一个有效的机制，教育学生和博士后学者在解决技术上重要的研究问题，使用综合实验和理论方法。该研究将为先进电子/光子器件和集成电路的几个方面提供基础等离子体和材料科学知识。***

9713280 Aydil This project combines an integrated theoretical and experimental approach to the systematic investigation of effects of plasma processing conditions on the structure and properties of a-Si:H and nc-Si:H films during PECVD from SiH4/H2/Ar glow discharges. The project aims at obtaining fundamental information regarding key internal plasma variables that determine film properties, such as crystallinity, crystal size, hydrogen content, and defect density. The goal is to elucidate how deposited film properties are affected by the identity and flux of chemically reactive molecular fragments and ions arriving at the film surface. Atomic-scale computer simulations will be employed to study the interaction of radicals and molecular fragments (e.g., SiH, SiH2, SiH3, H) from the plasma with the film surface. Molecular-dynamics, molecular-statics, lattice-dynamics, and Monte Carlo simulators based on recently developed interatomic potential-energy functions, will be used to study plasma-surface interactions. Also, hybrid off-lattice kinetic Monte Carlo simulations will be used for full-scale dynamical simulations of the deposition process over realistic time scales for a range of processing conditions. Results of computer simulations will be compared with experimental data and the insights gained from the simulations used to guide new experimental studies and design new deposition strategies. %%% This research activity cuts across traditional boundaries between different disciplines including physics, chemistry, engineering, and materials science to address forefront issues in a field with high technological relevance. The nature of the research also provides an effective mechanism for educating students and postdoctoral scholars in addressing technologically important research problems using an integrated experimental and theoretical approach. The research will contribute basic plasma and materials science knowledge at a fundamental level to several aspects of advanced electronic/photonic devices and integrated circuitry. ***