A cellular automata approach for the simulation and development of advanced phase change memory devices

Phase change devices in both optical and electrical formats have been subject of intense research since their discovery by Ovshinsky in the early 1960’s. They have revolutionized the technology of optical data storage and have very recently been adopted for non-volatile semiconductor memories. Their great success relies on their remarkable properties enabling high-speed, low power consumption and stable retention. Nevertheless, their full potential is still yet to be realized. Operations in electrical phase change devices rely on the large resistivity contrast between the crystalline (low resistance) and amorphous (high resistance) structures. The underlying mechanisms of phase transformations and the relation between structural and electrical properties in phase change materials are quite complex and need to be understood more deeply. For this purpose, we compare different approaches to mathematical modelling that have been suggested to realistically simulate the crystallization and amorphization of phase change materials. In this thesis the recently introduced Gillespie Cellular Automata (GCA) approach is used to obtain direct simulation of the structural phases and the electrical states of phase change materials and devices. The GCA approach is a powerful technique to understand the nanostructure evolution during the crystallization (SET) and amorphization (RESET) processes in phase change devices over very wide length scales. Using this approach, a detailed study of the electrical properties and nanostructure dynamics during SET and RESET processes in a PCRAM cell is presented. Besides the possibility of binary storage in phase change memory devices, there is a wider and far-reaching potential for using them as the basis for new forms of arithmetic and cognitive computing. The origin of such potential lies in a previously under-explored