Postdoc: Modelling of Advanced Semiconductor Materials for Electronic Devices

这项工作涉及半导体材料加工的AB initio模拟研究。 该项目将提供迄今为止最仔细的测试，以测试近似的绝对紧密结合模型预测产生所需材料特性所需的加工条件的能力。 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型掺杂剂），用于Si和SiGe等半导体材料。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，以产生掺杂剂扩散分布。 紧束缚的形成和迁移率的掺杂剂物种的能量的结果将被用于一个连续的代码，利用原子尺度的结果，宏观尺度的属性。 他们还将研究应力的作用，例如在SiGe/Si界面处，以增强半导体器件中的横向扩散。 在这里的研究，富硅材料中的掺杂剂扩散的计算机模拟，是至关重要的半导体工业的目标是在21世纪世纪的亚100纳米器件的功能。 与当地实验人员和附近行业的密切合作将允许这些模拟的补充实验研究的规划和执行。

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.