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arXiv 1608.00516cond-mat.mes-hall
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单层石墨烯等二维晶体的衬底定向散热理论

Theory of substrate-directed heat dissipation for single-layer graphene and other two-dimensional crystals

Zhun-Yong Ong, Yongqing Cai, Gang Zhang

摘要:

我们提出了在石墨烯或另一单层二维(2D)晶体(例如MoS $_{2}$)与平坦衬底之间的界面处的声子热阻(Kapitza)的理论,该理论是基于Wavesson、Volokitin和Ueba的交叉平面传热模型的修改版本[J. Phys.:康登斯Matter 23,045009(2011)]。我们展示了如何获得有限的Kapitza电阻的内在弯曲声子阻尼是必要的,也概括了理论的包裹单层2D晶体与覆盖。我们说明我们的模型通过计算裸和SiO $_{2}$包裹的单层石墨烯和MoS $_{2}$在SiO $_{2}$衬底上的热边界电导(TBC),使用输入参数从第一性原理计算。裸露(包裹的)石墨烯和SiO $_{2}$上的MoS $_{2}$的估计室温TBC分别为34.6(105)和3.10(5.07)MWK $^{-1}$ m $^{-2}$。该理论预测的声子频率交叉点的存在下,在裸2D晶体中的低频弯曲声子不耗散能量有效地基板。我们解释在我们的理论框架内如何用顶部SiO $_{2}$层包裹石墨烯引入新的低频传输通道,其显著降低石墨烯-衬底Kapitza电阻。我们强调,裸露和封装的2D晶体之间的区别,必须在跨平面散热到基板的分析。

英文摘要:

We present a theory of the phononic thermal (Kapitza) resistance at the interface between graphene or another single-layer two-dimensional (2D) crystal (e.g. MoS$_{2}$) and a flat substrate, based on a modified version of the cross-plane heat transfer model by Persson, Volokitin and Ueba [J. Phys.: Condens. Matter 23, 045009 (2011)]. We show how intrinsic flexural phonon damping is necessary for obtaining a finite Kapitza resistance and also generalize the theory to encased single-layer 2D crystals with a superstrate. We illustrate our model by computing the thermal boundary conductance (TBC) for bare and SiO$_{2}$-encased single-layer graphene and MoS$_{2}$ on a SiO$_{2}$ substrate, using input parameters from first-principles calculation. The estimated room temperature TBC for bare (encased) graphene and MoS$_{2}$ on SiO$_{2}$ are 34.6 (105) and 3.10 (5.07) MWK$^{-1}$m$^{-2}$, respectively. The theory predicts the existence of a phonon frequency crossover point, below which the low-frequency flexural phonons in the bare 2D crystal do not dissipate energy efficiently to the substrate. We explain within the framework of our theory how the encasement of graphene with a top SiO$_{2}$ layer introduces new low-frequency transmission channels which significantly reduce the graphene-substrate Kapitza resistance. We emphasize that the distinction between bare and encased 2D crystals must be made in the analysis of cross-plane heat dissipation to the substrate.

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