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arXiv 1107.0950cond-mat.mtrl-sci
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金属衬底上石墨烯第一性原理扫描隧道谱中Dirac点的指纹

Fingerprints of Dirac points in first-principles scanning tunneling spectra of graphene on a metal substrate

J. Slawinska, I. Zasada

摘要:

物理吸附在金属上的石墨烯在能带结构中保留了其特有的狄拉克锥,但由于与衬底的相互作用,系统的费米能级发生了移动。基于范德华修正的密度泛函计算,我们提出了一种方法来确定狄拉克点相对于费米能级的位置,从测量的扫描隧道谱(STS)。已经证明,在模拟的局域态密度和在观察到的dI/dV轮廓的下降确实是狄拉克点的指纹。掺杂的类型和水平可以直接从STS数据中推断出来,而无需任何额外的实验技术。对Cu(111)衬底上石墨烯的测试计算表明,狄拉克点的预测位置与最近研究中报道的实验值非常接近。此外,在Pt(111)表面上对石墨烯的模拟使我们能够解释最先进的实验工作中的明显矛盾。

英文摘要:

Graphene physisorbed on a metal has its characteristic Dirac cones preserved in the band-structure, but the Fermi level of the system is shifted due to the interaction with the substrate. Based on density functional calculations with van der Waals corrections, we present a method to determine the position of the Dirac point with respect to the Fermi level from the measured scanning tunneling spectra (STS). It has been demonstrated that the dips in both simulated local density of states and in the observed dI/dV profiles are indeed the fingerprints of the Dirac points. The type and the level of doping can be then inferred directly from the STS data without any additional experimental technique. Test calculations of graphene on a Cu(111) substrate have shown that the predicted position of the Dirac point is in close proximity to the experimental value reported in the recent studies. Moreover, simulations for graphene on a Pt(111) surface allow us to explain the apparent contradictions in the state-of-the-art experimental works.

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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