Molecular Dynamics Simulation on Formation of Ge Thin Film for Flexible Communication Devices

Abstract

Materials for flexible sensor that operate in close contact with the skin has been investigated. The sensor maintain the quality of life and the communication device for disabled people. Low-temperature crystallization and mechanical properties of Germanium thin films have been simulated by means of molecular dynamics under free boundary condition. Tersoff bond order potential was adopted for calculating the interactions between germanium atoms. Amorphous model was prepared by quenching the molten system at 1800 K. The model was consisted of 10,500 atoms. By annealing the amorphous state at 400 K, partial crystallization was realized. Crystallization was verified by the radial distribution function of the model. Then the film was deformed and stress-strain relation was calculated. The change of atomic structure during the deformation was investigated from the cross-sectional views. The mechanical strength and flexibility are discussed from microscopic point of view. Simulation plays a complementally role with the experimental research and contributes to the development of the flexible sensors.

Keywords

• germanium thin film
• molecular dynamics
• tersoff potential
• crystallization
• stress-strain relation
• flexible sensor
• communication device