蒙特卡罗方法
玻尔兹曼方程
纤锌矿晶体结构
声子
电子
热导率
材料科学
声子散射
热传导
氮化镓
散射
凝聚态物理
物理
热力学
光学
纳米技术
复合材料
冶金
锌
量子力学
图层(电子)
数学
统计
作者
Anish Muthukunnil Joseph,Bing Cao
标识
DOI:10.1016/j.ijthermalsci.2022.107742
摘要
Heat conduction in micro/nano-scale materials are well modeled by Boltzmann transport equation (BTE) and the Monte Carlo (MC) method is an effective computational tool for solving BTE. In conventional insulators and semiconductors, phonons are the majority heat carriers and contribution of electron–phonon interaction (EPI) is negligible. However, in polar semiconductors electron–phonon interaction and its contribution to thermal conductivity are significantly high. In this paper, we develop a novel MC scheme which combines phonon and electron transport effectively to address electron–phonon interaction (EPI). The method is applied in a case study, simulating the thermal transport in wurtzite Gallium Nitride (GaN), considering the EPI impact into account. Deformation potential as well as polar optical potential (POP) are used to characterize EPI. Individual scattering rates of electrons are first determined. Using them the net scattering rate and relaxation times are calculated. Both lattice temperature and the electron temperature profiles in the computational domain are estimated and compared. The final inference is that the lattice thermal conductivity of wurtzite GaN at room temperature is found to be reduced by 16%–22%, on incorporating EPI, for samples of varying thicknesses. • A Monte Carlo algorithm that combines Electron and Phonon transports is developed to address electron-phonon interactions. • The impact of electron–phonon interaction on the thermal transport in GaN is investigated. • Both Electron and Phonon temperature profiles in the computational domain are simulated. • Electron–Phonon interaction impact of thermal conductivity is estimated and compared with preexisting studies.
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