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Vol. 227, Issue 11, November 2018, pp. 21-27

 

Bullet

 

Atomistic Simulation of Structure and Dynamics in Crystallizing Germanium Thin Films
 

Yoshiaki KOGURE, Tomoko FUNAYAMA and Yasutaka UCHIDA

Teikyo University of Science, Adachi-ku, Tokyo, 120-0045, Japan
Tel.: +81-47-411-6265

E-mail: kogure@ntu.ac.jp

 

Received: 31 July 2018 /Accepted: 28 September 2018 /Published: 30 November 2018

Digital Sensors and Sensor Sysstems

 

Abstract: Low-temperature crystallization of germanium thin films has been simulated by means of molecular dynamics. 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 about 1000, 5000 or 10000 atoms and free boundary condition was adopted. Then these amorphous systems were kept at temperatures, 400 K or 600 K, for 500,000 steps and crystallization was really observed. To investigate the atomistic process of crystallization the cross sectional view of the atomic configuration, the change of the mean potential energy, the radial distribution function and the trajectory of atomic displacement were evaluated. Boundary conditions between the sample and the substrate were investigated in detail.

 

Keywords: Germanium, Molecular dynamics, Crystallization, Amorphous, Radial distribution function, Tersoff potential.

 

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