界面尺寸对铜/石墨烯界面热导的影响

The Effect of Size on the Thermal Conductivity of the Cu/SLG Interface

采用原子格林函数(AGF)方法研究了界面尺寸对铜/单层石墨烯(SLG)界面热导的影响。建立了有限和无限界面尺寸的AGF计算模型,计算得到的界面热导均在铜的迪拜温度(343 K)附近收敛,但两者计算得到的透射系数和界面热导存在明显差别:有限界面尺寸时计算得到的透射系数在1.5 THz附近达到峰值0.84,而无限界面尺寸时计算得到的透射系数在5 THz附近存在峰值0.58,且前者数据波动较大,总体数值也大于后者;无限界面热导收敛为17.6 MW·m^(−2)·K,显著小于有限界面面积的计算结果(41.9 MW·m^(−2)·K^(−1))。

The atomic Green Function(AGF)is used to investigate the effect of interface size on the thermal conductivity of the Cu/SLG(single layer graphene)interface.The interfacial thermal conductance converges near the Debye temperature of copper(343 K).The transmission of finite interface reaches a peak of 0.84 at 1.5 THz,when the peak value of infinite interface is 0.58 at 5 THz.Moreover,the data of the former fluctuates greatly,and the corresponding value is larger than the latter.The thermal conductivity of the infinite interface converges to 17.6 MW m^(−2)···K^(−1),which is significantlysmaller than the result obtained from the finite interface(41.9 MW·m^(−2)·K^(−1)).