Abstract High thermal conductivity electronic components with low interfacial thermal resistance are of technological importance and fundamental interest of research. Diamond, a superhard material with ultrahigh thermal conductivity at room temperature, is desirable for microelectronics thermal management. Cubic polymorph of boron nitride (c-BN) is a promising material due to wide bandgap and diamond like structure and properties. To understand the nature in thermal transport of diamond, c-BN and the most commonly used silicon (Si) semiconductor, ab initio phonon Boltzmann transport equations are employed to investigate lattice vibrational properties of these three materials. At 300 K, the predicted thermal conductivity of Si, diamond and c-BN reached 142, 2112, and 736 W/(m·K), respectively. What's more, heat transport phenomena across the interfaces of Si/diamond, c-BN/diamond and Si/c-BN are unfolded. In comparison, the interfacial thermal conductance of c-BN/diamond is ten-fold of Si/diamond; besides, the thermal conductance across Si/c-BN interface is 20.2% larger than that of Si/diamond at 300 K and 18.9% larger at 340 K. These findings provide us new vision and potential solution to heat dissipation of high-local-power density devices, shedding light on future thermal management of c-BN and diamond related electronics.

中文翻译：

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跨 c-BN/金刚石界面的高热导率

摘要 具有低界面热阻的高导热电子元件具有重要的技术意义和研究基础。金刚石是一种在室温下具有超高热导率的超硬材料，是微电子热管理的理想选择。由于宽带隙和类金刚石的结构和特性，氮化硼的立方多晶型物 (c-BN) 是一种很有前途的材料。为了了解金刚石、c-BN 和最常用的硅 (Si) 半导体的热传输性质，采用从头算声子 Boltzmann 传输方程来研究这三种材料的晶格振动特性。在 300 K 时，Si、金刚石和 c-BN 的预测热导率分别达到 142、2112 和 736 W/(m·K)。更重要的是，Si/金刚石、c-BN/金刚石和Si/c-BN 界面上的热传输现象被展开。相比之下，c-BN/金刚石的界面热导是Si/金刚石的十倍；此外，Si/c-BN 界面的热导在 300 K 时比 Si/金刚石大 20.2%，在 340 K 时大 18.9%。功率密度器件，阐明未来 c-BN 和金刚石相关电子产品的热管理。