Interlayer vacancy effects on the phonon modes in AB stacked bilayer graphene nanoribbon
Interlayer vacancy effects on the phonon modes in AB stacked bilayer graphene nanoribbon
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DOI：
10.1016/j.cap.2020.02.006
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发表时间：
2020-04-01
影响因子：
2.4
通讯作者：
Hashimoto, Akihiro
中科院分区：
文献类型：
--
作者：
Anindya, Khalid N.;Islam, Md Sherajul;Hashimoto, Akihiro
利用受迫振动方法研究了层间空位缺陷对Bernal（AB）堆叠双层扶手椅型石墨烯纳米带（BiAGNRs）振动性质的影响.结果表明，随着带宽的减小和空位浓度的增加，BiAGNR的拉曼主动纵光学声子（LO）发生了下移.我们发现空位在声子态密度的低频区诱导了一些新的峰。我们计算的典型模式图案阐明，在K点的局域横向光学声子从边缘向缺陷位置的空位浓度增加。此外，还讨论了缺陷诱导声子模对BiAGNR比热容和热导率的影响。这些结果为理解石墨烯基高性能纳米器件的散热现象提供了一种新的途径，并澄清了与声子性质相关的拉曼和实验。
We explore the effects of interlayer vacancy defects on the vibrational properties of Bernal (AB) stacking bilayer armchair graphene nanoribbons (BiAGNRs) using the forced vibrational method. It is observed that the Raman active longitudinal optical (LO) phonon of BiAGNR is shifted downward with the decrease of the ribbon width and an increase of the vacancy concentrations. We find that vacancies induce some new peaks in the low frequency regime of the phonon density of states. Our calculated typical mode patterns elucidate that the localized transverse optical phonon at the K-point is shifted towards the defect sites from the edges with increased vacancy concentrations. In addition, the impact of defect induced phonon modes on the specific heat capacity and thermal conductivity of BiAGNRs are discussed. These results present a new way of understanding the heat dissipation phenomena of graphene-based high-performance nanodevices and to clarify the Raman and the experiments related to the phonon properties.