论文标题
用于改进的自旋应用的互化磷酸
Intercalated phosphorene for improved spintronic applications
论文作者
论文摘要
在这项工作中，我们研究了单层磷酸烯与氮，锂和钙的插入，以探索Spintronic应用的前景。通过密度功能理论研究了插入结构的电子和磁性，以获得带的结构和态的自旋极化密度。尽管频带结构数据显示了消失的带隙，但在intercalant引起的向上旋转状态的密度和向下旋转状态下出现了明显的差异。为了评估插入的磷烯的性能，计算了旋转阶阶参数，测量状态的向上和向下自旋密度之间的不对称性，这清楚地表明了大型插入密度下改善的旋转性特性的演变。此外，较大的原子数量似乎有助于磷烯作为自旋材料的性能。
In this work we study the intercalation of monolayer phosphorene with nitrogen, lithium and calcium for exploring prospects of spintronic applications. The electronic and the magnetic properties of the intercalated structure are investigated via density functional theory to obtain the band structure and the spin polarized density of states. Albeit the band structure data show vanishing band gap, a noticeable difference emerges in the densities of the up and the down spin states induced by the intercalants. To evaluate the performance of the intercalated phosphorene, the spintronic order parameter, measuring the asymmetry among the up and the down spin densities of states, is computed which clearly shows evolution of improved spintronic properties at large intercalant densities. Further, larger atomic numbers of the intercalants seem to aid the performance of phosphorene as a spintronic material.
