Phonon transport in large scale carbon-based disordered materials: Implementation of an efficient order-N and real-space Kubo methodology
文献类型：期刊论文
| 作者 | Li, W ; SevincLi, H ; Cuniberti, G ; Roche, S |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2010 |
| 卷号 | 82期号:4 |
| 关键词 | THERMAL-CONDUCTIVITY BORON-NITRIDE GRAPHENE NANOTUBES DIFFUSION LATTICES |
| ISSN号 | 1098-0121 |
| 通讯作者 | Li, W (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | We have developed an efficient order-N real-space Kubo approach for the calculation of the phonon conductivity which outperforms state-of-the-art alternative implementations based on the Green's function formalism. The method treats efficiently the time-dependent propagation of phonon wave packets in real space, and this dynamics is related to the calculation of the thermal conductance. Without loss of generality, we validate the accuracy of the method by comparing the calculated phonon mean free paths in disordered carbon nanotubes (isotope impurities) with other approaches, and further illustrate its upscalability by exploring the thermal conductance features in large width edge-disordered graphene nanoribbons (up to similar to 20 nm), which is out of the reach of more conventional techniques. We show that edge disorder is the most important scattering mechanism for phonons in graphene nanoribbons with realistic sizes and thermal conductance can be reduced by a factor of similar to 10. |
| 收录类别 | SCI |
| 资助信息 | German Research Foundation (DFG) [SPP-1386, CU 44/11-1]; European Social Funds (ESF) in Saxony (research group InnovaSens); Alexander von Humboldt Foundation; South Korean Ministry of Education, Science, and Technology Program [R31-2008-000-10100-0]; [ANR/P3N2009 GRAPHENE_NANOSIM]; [ANR-09-NANO-016-01] |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/50885]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Li, W,SevincLi, H,Cuniberti, G,et al. Phonon transport in large scale carbon-based disordered materials: Implementation of an efficient order-N and real-space Kubo methodology[J]. PHYSICAL REVIEW B,2010,82(4). |
| APA | Li, W,SevincLi, H,Cuniberti, G,&Roche, S.(2010).Phonon transport in large scale carbon-based disordered materials: Implementation of an efficient order-N and real-space Kubo methodology.PHYSICAL REVIEW B,82(4). |
| MLA | Li, W,et al."Phonon transport in large scale carbon-based disordered materials: Implementation of an efficient order-N and real-space Kubo methodology".PHYSICAL REVIEW B 82.4(2010). |
入库方式： OAI收割
来源：物理研究所
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