近场辐射换热的第一性原理研究
First-principles method to study near-field radiative heat transfer
摘要：
本文提出了一种研究近场辐射换热的通用、方便的第一性原理方法。我们表明，Landauer的热通量的表达式可以表示在一个频率和波矢依赖的宏观介电函数，可以得到从线性响应密度泛函理论。随机相位近似用于计算响应函数。我们计算了三个系统中的传热-石墨烯，二硫化钼（MoS $_2$）和六方氮化硼（h-BN）。我们的研究结果表明，近场热通量超过黑体极限高达四个数量级。随着两个平行板之间的距离的增加，热通量的$1/d^2$依赖性，符合库仑定律。传热能力对材料的介电性能很敏感。讨论了化学势和温度对计算结果的影响。我们的方法可以应用到广泛的材料，包括系统的不均匀性。
英文摘要：
We present a general and convenient first principle method to study near-field radiative heat transfer. We show that the Landauer-like expression of heat flux can be expressed in terms of a frequency and wave-vector dependent macroscopic dielectric function which can be obtained from the linear response density functional theory. A random phase approximation is used to calculate the response function. We computed the heat transfer in three systems -- graphene, molybdenum disulfide (MoS$_2$), and hexagonal boron nitride (h-BN). Our results show that the near-field heat flux exceeds the blackbody limit up to four orders of magnitude. With the increase of the distances between two parallel sheets, a $1/d^2$ dependence of heat flux is shown, consistent with Coulomb's law. The heat transfer capacity is sensitive to the dielectric properties of materials. Influences from chemical potential and temperature are also discussed. Our method can be applied to a wide range of materials including systems with inhomogeneities.
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