J Mater Sci Technol ›› 1999, Vol. 15 ›› Issue (04): 328-330.

• Research Articles • Previous Articles     Next Articles

A Molecular Dynamics Study on the (11-20) Domain Boundary Structures in Epitaxial Wurtzite GaN

Shaoqing WANG, Yuanming WANG, Hengqiang YE   

  1. Laboratory of Atomic Imaging of Solids, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110015, China
  • Received:1999-01-15 Revised:1999-03-05 Online:1999-07-28 Published:2009-10-10
  • Contact: Shaoqing WANG

Abstract: A computer program has been developed for the molecular dynamics calculation of ionic or strong-ionic covalent systems. Ewald summation algorithm and Keating potential model are adopted to calculate the long-range Coulomb interaction and the short-range bonding forces, respectively. A theoretical study on the domain boundary structures in epitaxial wurtzite GaN film is accomplished with the program. The calculation result is used in the structure formation explanation of an interesting defect observed by HREM experiment.

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