Duan Yong, Xu Wenting, Kong Wenxia, Wang Jianxin, Zhang Jinzhe, Yang Zhongqin, Cai Qun
State Key Laboratory of Surface Physics and Department of Physics, Fudan University, Shanghai 200433, People's Republic of China.
ACS Omega. 2023 Sep 29;8(40):37600-37609. doi: 10.1021/acsomega.3c06523. eCollection 2023 Oct 10.
Manipulating the topological defects and electronic properties of graphene has been a subject of great interest. In this work, we have investigated the influence of Er predeposition on flower defects and electronic band structures of epitaxial graphene on SiC. It is shown that Er atoms grown on the SiC substrate actually work as an activator to induce flower defect formation with a density of 1.52 × 10 cm during the graphitization process when the Er coverage is 1.6 ML, about 5 times as much as that of pristine graphene. First-principles calculations demonstrate that Er greatly decreases the formation energy of the flower defect. We have discussed Er promoting effects on flower defect formation as well as its formation mechanism. Scanning tunneling microscopy (STM) and Raman and X-ray photoelectron spectroscopy (XPS) have been utilized to reveal the Er doping effect and its modification to electronic structures of graphene. N-doping enhancement and band gap opening can be observed by using angle-resolved photoemission spectroscopy (ARPES). With Er coverage increasing from 0 to 1.6 ML, the Dirac point energy decreases from -0.34 to -0.37 eV and the band gap gradually increases from 320 to 360 meV. The opening of the band gap is attributed to the synergistic effect of substitution doping of Er atoms and high-density flower defects.
操控石墨烯的拓扑缺陷和电子性质一直是备受关注的课题。在这项工作中,我们研究了预沉积铒对碳化硅上外延石墨烯的花状缺陷和电子能带结构的影响。结果表明,当铒覆盖度为1.6 ML时,生长在碳化硅衬底上的铒原子在石墨化过程中实际上起到了活化剂的作用,诱导形成密度为1.52×10 cm的花状缺陷,约为原始石墨烯的5倍。第一性原理计算表明,铒大大降低了花状缺陷的形成能。我们讨论了铒对花状缺陷形成的促进作用及其形成机制。利用扫描隧道显微镜(STM)、拉曼光谱和X射线光电子能谱(XPS)揭示了铒的掺杂效应及其对石墨烯电子结构的改性。通过角分辨光电子能谱(ARPES)可以观察到氮掺杂增强和带隙打开。随着铒覆盖度从0增加到1.6 ML,狄拉克点能量从-0.34 eV降低到-0.37 eV,带隙从320 meV逐渐增加到360 meV。带隙的打开归因于铒原子的替代掺杂和高密度花状缺陷的协同效应。