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Exploitation of the Maximum Entropy Principle in the Study of Thermal Conductivity of Silicon, Germanium and Graphene

机译:最大熵原理在硅、锗和石墨烯热导率研究中的应用

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In this paper, we review the application of a recent formula for the lattice thermal conductivity to silicon and germanium, which are two of the most commonly used materials in electronic devices, and to graphene, one the most promising new materials. The formula, which is based on a hierarchy of macroscopic models that generalize the Cattaneo equation, is capable of reproducing the results achieved by means of the well-known Callaway formula. In semiconductors, energy transport is largely due to acoustic phonons, therefore one can choose suitable moments of their occupation numbers as variables of the models. Equations determining the time evolution of these state variables are derived from the Boltzmann-Peierls transport equation by integration, while the maximum entropy principle (MEP) is used to obtain closure relations for the extra variables. All relevant phonon scattering mechanisms are taken into account. We present numerical results regarding the steady-state and dynamical thermal conductivities of silicon, germanium, and graphene, showing their main characteristics and how these are affected by the various scatterings. The results are in good qualitative and quantitative agreement with those in the literature, confirming that MEP is a valid method for developing macroscopic models of charge and energy transport in semiconductor materials.
机译:在本文中,我们回顾了晶格热导率公式在硅和锗(电子设备中最常用的两种材料)和石墨烯(最有前途的新材料之一)中的应用。该公式基于推广 Cattaneo 方程的宏观模型层次结构,能够重现通过著名的 Callaway 公式获得的结果。在半导体中,能量传输很大程度上是由于声学声子,因此可以选择其占用数的合适矩作为模型的变量。确定这些状态变量的时间演化的方程是通过积分从玻尔兹曼-皮尔斯输运方程推导出来的,而最大熵原理(MEP)则用于获得额外变量的闭合关系。所有相关的声子散射机制都被考虑在内。我们介绍了硅、锗和石墨烯的稳态和动态热导率的数值结果,展示了它们的主要特性以及它们如何受到各种散射的影响。研究结果与文献在定性和定量上具有良好的一致性,证实了MEP是开发半导体材料中电荷和能量传输的宏观模型的有效方法。

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