论文标题
全电动自旋操作和检测硼溶解石墨烯上单个分子的建议
Proposal for all-electrical spin manipulation and detection for a single molecule on boron-substituted graphene
论文作者
论文摘要
旋转状态的全电动写作和阅读引起了他们在节能旋转设备中的有希望的应用。在这里，我们根据严格的第一原理计算显示，可以在分子斑点中操纵和检测到自旋特性，其中将铁四苯基卟啉（FETPP）分子沉积在硼溶剂确定的石墨烯（B-G）上。值得注意的是，$ s = 1 $和$ s = 3/2 $状态之间的可逆旋转切换是通过门电极实现的。我们可以将原点追踪到fe- $ d _ {{z}^2} $和b- $ p_z $ orbitals之间的强杂交。将密度功能理论与非平衡绿色的功能形式主义相结合，我们提出了一个实验可行的3端设置，以探测自旋状态。此外，我们展示了非自旋极化的B-G的平面量子传输如何通过FETPP修改，从而在费米能量附近产生明显的转运自旋极化（典型覆盖范围$> 10 \％$ $）。我们的工作铺平了使用分子尖峰实现全电动旋转器设备的方式。
All-electrical writing and reading of spin states attract considerable attention for their promising applications in energy-efficient spintronics devices. Here we show, based on rigorous first-principles calculations, that the spin properties can be manipulated and detected in molecular spinterfaces, where an iron tetraphenyl porphyrin (FeTPP) molecule is deposited on boron-substituted graphene (B-G). Notably, a reversible spin switching between the $S=1$ and $S=3/2$ states is achieved by a gate electrode. We can trace the origin to a strong hybridization between the Fe-$d_{{z}^2}$ and B-$p_z$ orbitals. Combining density functional theory with nonequilibrium Green's function formalism, we propose an experimentally feasible 3-terminal setup to probe the spin state. Furthermore, we show how the in-plane quantum transport for the B-G, which is non-spin polarized, can be modified by FeTPP, yielding a significant transport spin polarization near the Fermi energy ($>10\%$ for typical coverage). Our work paves the way to realize all-electrical spintronics devices using molecular spinterfaces.
