Empirical pseudopotential method for modern electron simulation.

摘要

The topic of this thesis is to develop a framework for finding critical values that can be used in simulating modern semiconductor device structures. Many current simulation tools use effective mass approximations to model the propagation of electrons through a device. Because modern devices take advantage of different materials, geometries and sizes, a band structure calculation becomes necessary for representing effects such as strained materials and hot carriers. While highly accurate, calculation-intense methods exist, a band structure may need to be recalculated on-the-fly creating the need for a fast, simple algorithm that can be tailored for the situation at hand.;Fortunately, there is a very well established method for calculating band structure based on physical properties of the material. Historically, these properties were measured, but modern techniques involve using algorithms to converge to the proper values. This allows the simulation of devices with interesting properties while maintaining relatively simple models.