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首页> 外文期刊>Journal of Physics, D. Applied Physics: A Europhysics Journal >Charge spill-out and work function of few-layer graphene on SiC(0001)
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Charge spill-out and work function of few-layer graphene on SiC(0001)

机译：SiC（0001）上多层石墨烯的电荷溢出和功函

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摘要

We report on the charge spill-out and work function of epitaxial few-layer graphene on 6 H-SiC(0 0 0 1). Experiments from high-resolution, energy-filtered x-ray photoelectron emission microscopy (XPEEM) are combined with ab initio density functional theory calculations using a relaxed interface model. The work function values obtained from theory and experiments are in qualitative agreement, reproducing the previously observed trend of increasing work function with each additional graphene plane. Electron transfer at the SiC/graphene interface through a buffer layer (BL) causes an interface dipole moment which is at the origin of the graphene work function modulation. The total charge transfer is independent of the number of graphene layers, and is consistent with the constant binding energy of the SiC component of the C 1s core-level, measured by XPEEM. Charge leakage into a vacuum depends on the number of graphene layers, explaining why the experimental, layer-dependent C 1s graphene core-level binding energy shift does not rigidly follow that of the work function. Thus, a combination of charge transfer at the SiC/graphene interface and charge spill-out into the vacuum resolves the apparent discrepancy between the experimental work function and C 1s binding energy.
机译：我们报告了在6 H-SiC（0 0 0 1）上外延几层石墨烯的电荷溢出和功函数。高分辨率，能量过滤的X射线光电子发射显微镜（XPEEM）进行的实验与从头算密度函数理论计算结合在一起，采用的是松弛界面模型。从理论和实验获得的功函数值在定性上一致，再现了先前观察到的每增加一个石墨烯平面功函数增加的趋势。 SiC /石墨烯界面上的电子通过缓冲层（BL）传输会导致界面偶极矩，该偶极矩是石墨烯功函数调制的起点。总电荷转移与石墨烯层的数量无关，并且与XPEEM测量的C 1s核能级SiC成分的恒定结合能一致。电荷泄漏到真空中取决于石墨烯层的数量，这解释了为什么实验的，依赖于层的C 1s石墨烯核能级结合能位移不严格遵循功函数的位移。因此，电荷在SiC /石墨烯界面处的转移与电荷向真空中的扩散相结合，解决了实验功函数与C 1s结合能之间的明显差异。

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