Postdoc: Modelling of Advanced Semiconductor Materials for Electronic Devices

这项工作涉及半导体材料加工的AB激发模拟研究。该项目将提供迄今为止最仔细的测试，以测试近似从头到尾紧密结合模型的能力，以预测生产所需材料性能所需的加工条件。特别是，PI将研究有前途的新掺杂剂，如Ga和In（取代硼作为p掺杂剂），用于半导体材料，如Si和SiGe。这将涉及到模拟技术（分子静力学、分子动力学和动力学蒙特卡罗）的结合，以产生掺杂物的扩散剖面。形成能和掺杂物质迁移率的紧密结合结果将在连续体代码中使用，以利用原子尺度的结果到宏观尺度的性质。他们还将研究应力的作用，比如在SiGe/Si界面，以增强半导体器件中的横向扩散。这里的研究，即富硅材料中掺杂物扩散的计算机模拟，对于瞄准21世纪sub-100nm器件特性的半导体工业至关重要。与当地实验人员和附近工业的密切合作将允许规划和执行这些模拟的补充实验研究。

This work involves AB intitio simulation studies for semiconductor materials processing. The project will provide the most careful test to date of the ability of approximate ab intitio tight binding models to predict the processing conditions necessary to produce desired materials properties. In particular, the PI's will study promising new dopants like Ga and In (to replace boron as a p-dopant) for semiconductor materials like Si and SiGe. This will involve a combination of simulation techniques (molecular statics, Molecular Dynamics and Kinetic Monte Carlo) to produce dopant diffusion profiles. The tight binding results for energies of formation and mobility of dopant species will be used in a continuum code to leverage the atomic-scale results to macroscopic scale properties. They will also investigate the role of stress, say at an SiGe/Si interface, to enhance lateral diffusion in a semiconductor device. The studies here, computer simulation of dopant diffusion in Si-rich materials, are crucial to the semiconductor industry aiming for sub-100nm device features in the 21st century. Close collaboration with local experimentalists and nearby industries will allow planning and execution of complementary experimental studies of these simulations.