On the atomic structure of periodic [0 0 0 1] tilt boundaries in GaN: dislocations mobility and boundary-dislocation interaction

Antoine Bere; Anna Serra

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On the atomic structure of periodic [0 0 0 1] tilt boundaries in GaN: dislocations mobility and boundary-dislocation interaction

机译：GaN中周期性[0 0 0 1]倾斜边界的原子结构：位错迁移率和边界-位错相互作用

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We have investigated the mobility of the crystal dislocations and their interaction with certain tilt boundaries in GaN by means of atomic computer simulation. Among the three possible stable cores of the 1/3 [2, 1, 1, 0] (a-type) edge prism dislocation, namely, C_(5/7), C_4 and C_8, it was found that the C_4 and C_8 cores move under an applied strain whereas the C_(5/7) core is sessile. The a edge basal, a screw and c dislocations are not mobile under strains up to 5%. The simulation also shows that a C_4 or C_8 units at the interface of certain tilt boundaries move under an applied strain. In turn, dislocations can either annihilate or incorporate on these boundaries.

机译：我们已经通过原子计算机模拟研究了晶体位错的迁移率以及它们与GaN中某些倾斜边界的相互作用。在1/3 [2、1、1、0]（a型）边缘棱镜错位的三个可能的稳定核中，即C_（5/7），C_4和C_8，发现C_4和C_8核心在施加的应变下移动，而C_（5/7）核心是无柄的。边缘基部，螺钉和c脱位在高达5％的应变下无法移动。模拟还显示，某些倾斜边界的界面处的C_4或C_8单元在施加的应变下移动。反过来，位错可以消灭或合并在这些边界上。

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来源
《Materials Science and Engineering. A, Structural Materials》 |2004年第2期|p.241-246|共6页
作者
Antoine Bere; Anna Serra;
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作者单位

Departament de Matematica Aplicada III, E. T. S. Enginyeria de Camins, Canals i Ports, Universitat Politecnica de Catalunya, Jordi Girona 1-3, 08034 Barcelona, Spain;

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正文语种 eng
中图分类工程材料学;
关键词
GaN; tilt boundary; dislocation mobility; computer simulation; empirical potential;

机译：氮化镓;倾斜边界;位错迁移率;计算机模拟;经验势;

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On the atomic structure of periodic [0 0 0 1] tilt boundaries in GaN: dislocations mobility and boundary-dislocation interaction

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