零维石墨片的吸附对石墨纳米条带自旋输运的调制-凝聚态物理专业论文.docxVIP

II II Abstract As an excellent base material of spin-device, graphene nanoribbons (GNRs) have extensive applications in spintronics. In this paper, we study the spin-dependent transport properties of GNRs adsorbed with zero-dimensional graphene nanoflakes (GFs), using Atomistix Toolkit software which is based on the first principle density functional and non-equilibrium Greens function method. We study the spin-dependent transport properties of two typical edged graphene nanoribbons adsorbed with a zigzag-edged triangle graphene nanoflke (ZTGF), focusing on the effect of size and adsorbing sites. We find that the ZTGF is equivalent to an artificial magnetic molecule, causing the system to produce spin polarization. For armchair-edged graphene nanoribbons (AGNRs), adsorption causes almost 100% spin polarization at a single energy level. For zigzag-edged graphene nanoribbons (ZGNRs), a ZTGF adsorbed at the center position not only results in the spin polarization at the energy level that similar to the AGNRs’ system, but also near the energy level of edge-states that originate from the symmetry breaking of the edge-states. When the ZTGF is adsorbed on the edge position, the effect of adsorption is even stronger, which destroys the edge-states more severely. We also study the spin-dependent transport properties of the ZGNRs with two ZTGFs adsorbed anti-symmetrically and symmetrically. Results indicate that there is no spin polarization because the effects from the two anti-symmetrical ZTGFs are counteracted each other. For symmetrical adsorption system, there is a wide fully spin-polarized energy range (about 0.2eV). This is more important than the polarization at a single energy level with a single ZTGF adsorption. Our results show that the adsorption of the zero-dimensional graphene nanoflakes is an effective method to control spin polarization of the system. We hope that the results can provide a physical model and theoretical basis for the design and implementation