中国物理B ›› 2022, Vol. 31 ›› Issue (11): 116101-116101.doi: 10.1088/1674-1056/ac80aa

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A theoretical investigation of glide dislocations in BN/AlN heterojunctions

Shujun Zhang(张淑君)†   

  1. Department of Physics, Chongqing Three Gorges University, Wanzhou 404100, China
  • 收稿日期:2022-05-17 修回日期:2022-07-11 接受日期:2022-07-13 出版日期:2022-10-17 发布日期:2022-10-17
  • 通讯作者: Shujun Zhang E-mail:shjzhang@sanxiau.edu.cn

A theoretical investigation of glide dislocations in BN/AlN heterojunctions

Shujun Zhang(张淑君)†   

  1. Department of Physics, Chongqing Three Gorges University, Wanzhou 404100, China
  • Received:2022-05-17 Revised:2022-07-11 Accepted:2022-07-13 Online:2022-10-17 Published:2022-10-17
  • Contact: Shujun Zhang E-mail:shjzhang@sanxiau.edu.cn

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摘要： Glide dislocations with periodic pentagon-heptagon pairs are investigated within the theory of one-dimensional misfit dislocations in the framework of an improved Peierls-Nabarro (P-N) equation in which the lattice discreteness is fully considered. We find an approximate solution to handle misfit dislocations, where the second-order derivative appears in the improved P-N equation. This result is practical for periodic glide dislocations with narrow width, and those in the BN/AlN heterojunction are studied. The structure of the misfit dislocations and adhesion work are obtained explicitly and verified by first-principles calculations. Compared with shuffle dislocations, the compression force in the tangential direction of glide dislocations has a greater impact on the normal direction, and the contributions of the normal displacement to the interfacial energy cannot simply be ignored.

关键词: interfacial misfit dislocation, misfit dislocation energy

Abstract: Glide dislocations with periodic pentagon-heptagon pairs are investigated within the theory of one-dimensional misfit dislocations in the framework of an improved Peierls-Nabarro (P-N) equation in which the lattice discreteness is fully considered. We find an approximate solution to handle misfit dislocations, where the second-order derivative appears in the improved P-N equation. This result is practical for periodic glide dislocations with narrow width, and those in the BN/AlN heterojunction are studied. The structure of the misfit dislocations and adhesion work are obtained explicitly and verified by first-principles calculations. Compared with shuffle dislocations, the compression force in the tangential direction of glide dislocations has a greater impact on the normal direction, and the contributions of the normal displacement to the interfacial energy cannot simply be ignored.

Key words: interfacial misfit dislocation, misfit dislocation energy

中图分类号:  (Theories and models of crystal defects)

  • 61.72.Bb
68.35.Dv (Composition, segregation; defects and impurities) 68.55.Ln (Defects and impurities: doping, implantation, distribution, concentration, etc.)