Tresca Cesare, Profeta Gianni, Bisti Federico
CNR-SPIN c/o Dipartimento di Scienze Fisiche e Chimiche, Università dell'Aquila, Via Vetoio 10, 67100 L'Aquila, Italy.
Dipartimento di Scienze Fisiche e Chimiche, Università dell'Aquila, Via Vetoio 10, 67100 L'Aquila, Italy.
Nanomaterials (Basel). 2024 Sep 4;14(17):1448. doi: 10.3390/nano14171448.
In the attempt to induce spin-polarized states in graphene (Gr), rare-earth deposition on Gr/Co(0001) has been demonstrated to be a successful strategy: the coupling of graphene with the cobalt substrate provides spin-polarized conical-shaped states (minicone) and the rare-earth deposition brings these states at the Fermi level. In this manuscript, we theoretically explore the feasibility of an analogue approach applied on Gr/Ni(111) doped with rare-earth ions by means of density functional theory calculations. Even if not well mentioned in the literature, this system owns a minicone, similar to the cobalt case. By testing different rare-earth ions, not only do we suggest which one can provide the required doping but we also explain the effect behind this proper charge transfer.
为了在石墨烯(Gr)中诱导自旋极化态,在Gr/Co(0001)上沉积稀土已被证明是一种成功的策略:石墨烯与钴衬底的耦合提供了自旋极化的锥形态(小锥体),而稀土沉积则使这些态出现在费米能级。在本论文中,我们通过密度泛函理论计算从理论上探索了一种应用于掺杂稀土离子的Gr/Ni(111)的类似方法的可行性。即使在文献中没有被充分提及,但该体系拥有一个类似于钴体系的小锥体。通过测试不同的稀土离子,我们不仅指出了哪种离子可以提供所需的掺杂,还解释了这种适当电荷转移背后的效应。