Postdoc: Modelling of Advanced Semiconductor Materials for Electronic Devices

这项工作涉及到半导体材料加工的AB初始模拟研究。该项目将提供迄今为止最仔细的测试，以检验近似的从紧结合模型预测产生所需材料性能所需的工艺条件的能力。特别是，PI将研究用于Si和SiGe等半导体材料的有前途的新掺杂剂，如Ga和In(取代硼作为p掺杂)。这将涉及模拟技术(分子静力学、分子动力学和动力学蒙特卡罗)的组合，以产生掺杂扩散分布。掺杂物种的形成能和迁移率的紧密结合结果将在连续统代码中使用，以利用原子尺度的结果来获得宏观尺度的性质。他们还将研究应力的作用，比如在SiGe/Si界面上，以增强半导体器件中的横向扩散。这方面的研究，即富硅材料中掺杂扩散的计算机模拟，对于21世纪以亚100 nm器件为目标的半导体工业来说是至关重要的。与当地实验者和附近行业的密切合作将使这些模拟的补充实验研究得以规划和执行。

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.