论文标题
过渡金属二分法中的边缘磁化纳米纤维：平均野外理论和决定性量子蒙特卡洛
Edge magnetism in transition metal dichalcogenide nanoribbons: Mean field theory and determinant quantum Monte Carlo
论文作者
论文摘要
锯齿形转变金属二分法纳米骨中的边缘磁性使用与局部电子电子相互作用的三频紧密结合模型进行了研究。均采用了平均场理论和公正的数值确切量子蒙特卡洛法。根据边缘填充，平均场理论预测了不同的阶段：出现两个特定填充物的旋转二聚体和抗铁磁阶段，倾向于从这些填充物上倾向于金属边缘 - 有铁磁性。尽管对于其他填充物是标志性问题，但行列式量子蒙特卡洛模拟证实了在与平均场理论相同的边缘填充相同的边缘填充相处的抗磁磁性相位的稳定性。获得的结果指向边缘填充，这是了解纳米片中观察到的磁性的另一种关键要素。此外，填充依赖的边缘磁磁会在锯齿形纳米容器中引起自旋极化的边缘电流，该电流可以通过后门电压调节，并可能应用于Spintronics。
Edge magnetism in zigzag transition metal dichalcogenide nanoribbons is studied using a three-band tight-binding model with local electron-electron interactions. Both mean field theory and the unbiased, numerically exact determinant quantum Monte Carlo method are applied. Depending on the edge filling, mean field theory predicts different phases: gapped spin dimer and antiferromagnetic phases appear for two specific fillings, with a tendency towards metallic edge-ferromagnetism away from those fillings. Determinant quantum Monte Carlo simulations confirm the stability of the antiferromagnetic gapped phase at the same edge filling as mean field theory, despite being sign-problematic for other fillings. The obtained results point to edge filling as yet another key ingredient to understand the observed magnetism in nanosheets. Moreover, the filling dependent edge magnetism gives rise to spin-polarized edge currents in zigzag nanoribbons which could be tuned through a back gate voltage, with possible applications to spintronics.
