Ultrahigh thermal conductivity in hexagonal BC6N- An efficient material for nanoscale thermal management- A first principles study
Ultrahigh thermal conductivity in hexagonal BC6N- An efficient material for nanoscale thermal management- A first principles study
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六方BC6N超高导热率——一种用于纳米级热管理的有效材料——第一原理研究
DOI：
10.1016/j.commatsci.2021.110773
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发表时间：
2021
影响因子：
3.3
通讯作者：
Garg, Jivtesh
中科院分区：
文献类型：
--
作者：
Muthaiah, Rajmohan;Garg, Jivtesh
具有高导热系数的工程材料是微纳电子中高效散热的基础材料。用第一性原理计算了六方纯(天然)BC6N(h-BC6N)的2090Wm−1K−1(1395Wm−1K−1)的超高导热系数。这个数值是继钻石和立方体砷化硼之后已知的最高导热系数之一。这种超高的晶格热导率(K)主要归因于强C单键和B单键N键产生的声学声子和光学声子的高声子群速度以及组成元素B(B)、C(C)和N(N)的轻原子质量。我们还通过包括边界散射的方法报道了h-BC6N纳米结构的尺寸相关导热系数。在室温(300K)和纳米级长度(L)为100W nm时，观察到175Wm−1K−1的高值(高于硅的体积值)。在H-BC6N纳米结构中，具有大群速度的光学声子是造成这种高导热系数的主要原因。H-BC6N的高导热系数使其成为微纳米热管理应用中的候选散热材料。
Engineering materials with high thermal conductivity are of fundamental interest for efficiently dissipating heat in micro/nanoelectronics. Using first principles computations we report an ultra-high thermal conductivity of 2090 Wm−1K−1(1395 Wm−1K−1) for hexagonal pure (natural) BC6N(h-BC6N). This value is among the highest thermal conductivities known after diamond and cubic boron arsenide. This ultra-high lattice thermal conductivity (k) is mainly attributed with high phonon group velocities of both acoustic and optical phonons arising from strong Csingle bondC and Bsingle bondN bonds as well as the light atomic mass of the constituent elements such as boron (B), carbon (C) and nitrogen (N). We also report size dependent thermal conductivity ofh-BC6N nanostructures by including boundary scattering. At room temperature (300 K) and at nanoscale length (L) of 100 nm, a highkvalue of 175 Wm−1K−1is observed (higher than the bulkkvalue of silicon). Optical phonons with large group velocities are mainly responsible for this high thermal conductivity inh-BC6N nanostructures. High thermal conductivity ofh-BC6N makes it a candidate material for heat dissipation in micro/nano thermal management applications.
影响因子：
1.8
作者：
Meija, Juris;Coplen, Tyler B.;Prohaska, Thomas
通讯作者：
Prohaska, Thomas
影响因子：
10.9
作者：
Chakraborty, Pranay;Xiong, Guoping;Wang, Yan
通讯作者：
Wang, Yan
纳米电子学和 3D 电子学的热管理。
DOI：
--
发表时间：
2011
期刊：
影响因子：
--
作者：
A. Balandin
通讯作者：
A. Balandin