Resonant interaction between phonons and PbTe/PbSe (001) misfit dislocation networks
Resonant interaction between phonons and PbTe/PbSe (001) misfit dislocation networks
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声子与 PbTe/PbSe (001) 失配位错网络之间的共振相互作用
DOI：
10.1016/j.actamat.2022.118143
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发表时间：
2022
期刊：
影响因子：
9.4
通讯作者：
Chen, Youping
中科院分区：
文献类型：
--
作者：
Li, Yang;Zheng, Zexi;Diaz, Adrian;Phillpot, Simon R.;McDowell, David L.;Chen, Youping
本文以并行原子-连续介质(CAC)方法为模拟工具，对PbTe/PbSe(001)异质结中声子-位错相互作用的动力学过程进行了定量和力学的研究。模拟得到的失配位错网络和原子尺度的位错核结构与PbTe/PbSe(001)界面的实验观测结果吻合较好。通过可视化声子和位错之间的动态相互作用，以及量化位错界面的位错振动幅度、声子能量传输和热阻，本工作阐明和量化了声子-位错相互作用的两种机制：(1)位错应变场的声子散射，和(2)通过位错网络的局域模式振动的位错的声子散射，后者导致共振的声子-位错相互作用，表现为滑移面两侧原子的异相振动的局部极大值，导致包含一个界面的异质结构中能量传输的局部最小值。结果表明，局域振动模仅由横向声子引起的剪切应力激发。在各种谐振模式中，频率最低的模式效果最强。这项工作还证明了在超快声子脉冲下位错的集体运动。此外，发现在一个界面内的失配位错网络的动力学性质被其他界面上的失配位错显著改变，从而进一步证实了位错和声子运动的协同动力学性质。
This work aims at a quantitative and mechanistic understanding of the dynamic process of the phonon-dislocation interaction in PbTe/PbSe (001) heterostructures using the Concurrent Atomistic-Continuum (CAC) method as the simulation tool. The misfit dislocation network and the atomic-scale dislocation core structure obtained in the simulations are found to agree reasonably well with the experimental observations of the PbTe/PbSe (001) interface. Through visualizing the dynamic interaction between phonons and dislocations, as well as quantifying the dislocation vibration amplitude, the phonon energy transmission, and the thermal resistance of the misfit interfaces, this work has illustrated and quantified two mechanisms for phonon-dislocation interaction: (1) phonon scattering by the strain field of dislocations, and (2) phonon scattering by dislocations that vibrate via the local modes of a dislocation network; the latter, leads to resonant phonon-dislocation interaction, which is manifested as local maxima of out-of-phase vibration of the atoms on the two sides of the slip plane, leading to local minima of the energy transmission in the heterostructure that contains one interface. The local vibrational modes are found to be excited only by shear stress induced by transverse phonons. Among various resonant modes, the one with the lowest frequency has the strongest effect. This work has also demonstrated the collective motion of dislocations under ultrafast phonon pulses. In addition, the dynamic properties of the misfit dislocation network localized within one interface are found to be significantly altered by the presence of misfit dislocations at other interfaces, thus further confirming the cooperative dynamic nature of the motion of dislocations and phonons.
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