Atomic simulations and HRTEM observations of a Σ 18 tilt grain boundary in GaN
Atomic simulations and HRTEM observations of a Σ 18 tilt grain boundary in GaN
复制标题
GaN Σ 18 倾斜晶界的原子模拟和 HRTEM 观察
DOI：
10.1002/pssa.200461419
复制
发表时间：
2005
期刊：
影响因子：
--
通讯作者：
T. Karakostas
中科院分区：
文献类型：
--
作者：
J. Kioseoglou;A. Béré;P. Komninou;G. Dimitrakopulos;G. Nouet;E. Iliopoulos;A. Serra;T. Karakostas
在异质衬底上生长的GaN薄膜的晶体质量在很大程度上取决于生长条件。在GaN外延层中出现的各种微结构缺陷中，晶界（GB）是在某些情况下在生长过程中可能形成的延伸缺陷。在这项工作中，一个“对称”和一个“不对称”70.53° $1\bar 2 10 $18倾斜边界的原子结构相结合的大规模能量计算，使用修改后的Stillinger-Weber原子间的潜力，高分辨率透射电子显微镜观察。能量上有利的短周期非对称界面与实验观察相匹配。（© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA，魏因海姆）
The crystalline quality of GaN thin films grown on foreign substrates for opto‐ and micro‐electronics applications depends strongly on the growth conditions. Among a variety of microstructural defects that appear in GaN epilayers, grain boundaries (GBs) are extended defects that may be formed during the growth process under certain circumstances. In this work, the atomic structures of a ‘symmetric' and an ‘asymmetric' 70.53° 〈$ 1 \bar 2 10$〉 Σ18 tilt boundaries are investigated by combining large scale energetic calculations, using a modified Stillinger–Weber interatomic potential, with high resolution transmission electron microscopy observations. The energetically favourable short‐period asymmetric interface is matched to the experimental observations. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)