Numerical simulations of molecular nanostructure of semiconductor instability in bifurcation points of volt-ampere characteristic

The work is directed to numerical simulation of instability of molecular nanostructure of semiconductor in the bifurcation points of volt-amper characteristic of S-form. Investigation is important for development of the memory devices based on phase change in semiconductors. Analysis of the model is provided, which could be choose for the basis of switching behavior of molecular structure of nano-point. Multiscale model is suggested for the study of work cycle of device. Model combines quantum molecular dynamics of Car-Parrinello model with the behavior of the system in bifurcation points of s-form of semiconductor with negative differential conductivity.