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Tunable charge donation and spin polarization of metal adsorbates on graphene using an applied electric field

机译:使用施加的电场可调节的电荷捐赠和石墨烯上的金属吸附物的自旋极化

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Metal atoms on graphene, when ionized, can act as a point-charge impurity to probe a charge response of graphene with the Dirac cone band structure. To understand the microscopic physics of the metal-atom-induced charge and spin polarization in graphene, we present scanning tunneling spectroscopy (STS) simulations based on density-functional theory calculations. We find that a Cs atom on graphene is fully ionized with a significant band-bending feature in the STS whereas the charge and magnetic states of Ba and La atoms on graphene appear to be complicated due to orbital hybridization and Coulomb interaction. By applying external electric field, we observe changes in charge donations and spin magnetic moments of the metal adsorbates on graphene.
机译:石墨烯上的金属原子被电离时,可以充当点电荷杂质,以探测具有Dirac锥带结构的石墨烯的电荷响应。为了了解石墨烯中金属原子感应的电荷和自旋极化的微观物理学,我们提出了基于密度泛函理论计算的扫描隧道光谱(STS)模拟。我们发现,石墨烯上的Cs原子在STS中被完全电离,具有明显的能带弯曲特征,而石墨烯上Ba和La原子的电荷和磁态由于轨道杂化和库仑相互作用而显得复杂。通过施加外部电场,我们观察到电荷捐赠的变化以及石墨烯上金属吸附物的自旋磁矩。

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