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arXiv 1202.4846cond-mat.mes-hall
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石墨烯在6 H- SiC上生长的分子动力学模拟

Growth of graphene on 6H-SiC by molecular dynamics simulation

N. Jakse, R. Arifin, S. K. Lai

摘要:

采用经典分子动力学模拟研究了石墨烯在6 H-SiC(0001)衬底上的外延生长。结果发现,存在一个阈值退火温度以上,我们观察到在衬底上的石墨结构的形成。为了检验模拟结果的灵敏度,我们测试了两个经验势,并通过计算石墨烯的特征、碳-碳键长、对关联函数和结合能来评估它们的可靠性。

英文摘要:

Classical molecular-dynamics simulations were carried out to study epitaxial growth of graphene on 6H-SiC(0001) substrate. It was found that there exists a threshold annealing temperature above which we observe formation of graphitic structure on the substrate. To check the sensitivity of the simulation results, we tested two empirical potentials and evaluated their reliability by the calculated characteristics of graphene, its carbon-carbon bond-length, pair correlation function, and binding energy.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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