A Molecular Dynamics Study on the (1120) Domain Boundary Structures in Epitaxial Wurtzite GaN

作     者：Shaoqing WANGt Yuanming WANG and Hengqiang YE(Laboratory of Atomic Imaging of Solids, Institute of Metal Research, Chinese Academy of Sciences,Shenyang 110015, China)To whom correspondence should be addressedE-mail: sqwang@*** 

作者机构：Laboratory of Atomic Imaging of Solids Institute of Metal Research Chinese Academy of Sciences Shenyang 110015 China 

出 版 物：《Journal of Materials Science & Technology》 (材料科学技术（英文版）)

年 卷 期：1999年第15卷第4期

页      面：328-330页

核心收录：

学科分类：07[理学] 0817[工学-化学工程与技术] 0806[工学-冶金工程] 070203[理学-原子与分子物理] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0802[工学-机械工程] 0801[工学-力学（可授工学、理学学位）] 0702[理学-物理学] 

主　　题：Rev Domain Boundary Structures in Epitaxial Wurtzite GaN A Molecular Dynamics Study on the 

摘      要：A computer program has been developed for the moIlcular dynamics calculation of ionic orstrong-ionic covalent systems. Ewald summation algorithm and Keating potentiaI model areadopted 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 formationexplanation of an interesting defect observed by HREM experiment.