Misfit dislocation structure and thermal boundary conductance of GaN/AlN interfaces
Misfit dislocation structure and thermal boundary conductance of GaN/AlN interfaces
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DOI：
10.1063/5.0049662
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发表时间：
2021-07
影响因子：
3.2
通讯作者：
Jiaqi Sun;Yang Li;Y. Karaaslan;C. Sevik;Youping Chen
中科院分区：
文献类型：
--
作者：
Jiaqi Sun;Yang Li;Y. Karaaslan;C. Sevik;Youping Chen
用分子动力学模拟方法研究了纤锌矿GaN/AlN(0001)界面的结构和热界电导。三种不同经验原子间势的模拟结果都产生了相似的失配位错网络和位错核结构。在GaN/AlN界面上，失配位错网络由纯刃型位错组成，其Burgers矢量为1/3⟨1 2‘10⟩，失配位错核具有八原子环结构。尽管不同的原子间势会导致不同的位错性质和热导数值，但位错失配对GaN/AlN(0001)界面的热界电导都有显著的影响。
The structure and thermal boundary conductance of the wurtzite GaN/AlN (0001) interface are investigated using molecular dynamics simulation. Simulation results with three different empirical interatomic potentials have produced similar misfit dislocation networks and dislocation core structures. Specifically, the misfit dislocation network at the GaN/AlN interface is found to consist of pure edge dislocations with a Burgers vector of 1 / 3 ⟨ 1 2 ¯ 10 ⟩ and the misfit dislocation core has an eight-atom ring structure. Although different interatomic potentials lead to different dislocation properties and thermal conductance values, all have demonstrated a significant effect of misfit dislocations on the thermal boundary conductance of the GaN/AlN (0001) interface.