An Qi, Hu Chen, Yu Guanghua, Guo Hong
School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, China and Department of Physics, McGill University, 3600 rue university, Montréal, Québec H3A 2T8, Canada.
Department of Physics, McGill University, 3600 rue university, Montréal, Québec H3A 2T8, Canada.
Nanoscale. 2020 Mar 12;12(10):6079-6088. doi: 10.1039/d0nr00037j.
We report theoretical modeling of spin-dependent quantum transport properties of dangling bond wires (DBWs) on the Si(100)-2 × 1:H surface. A single spin-polarized dangling bond center (DBC) near the DBW may strongly affect transport as characterized by anti-resonances or dips in the transmission spectra. Such spin-dependent gating can be effective up to a distance of 1.5 nanometer between the DBW and the DBC. At the energies where anti-resonances occur, the scattering states of the system are found to be "attracted" to the DBC - rather than moving forward to the existing electrode. The variety of gating effects can be well organized by a physical picture, i.e. a strong hybridization or interaction between the spin-polarized DBW and DBC occurs with the same spin polarization (at DBW and DBC) and at similar energy. The sharp spin-resolved anti-resonance in the DBW gives rise to a spin-filtering effect up to 100% efficiency.
我们报告了在Si(100)-2×1:H表面上悬空键线（DBW）的自旋相关量子输运性质的理论建模。DBW附近的单个自旋极化悬空键中心（DBC）可能会强烈影响输运，其特征是传输光谱中的反共振或凹陷。这种自旋相关的门控在DBW和DBC之间高达1.5纳米的距离内都可能有效。在发生反共振的能量处，发现系统的散射态被“吸引”到DBC，而不是向前移动到现有的电极。各种门控效应可以通过一个物理图像很好地组织起来，即自旋极化的DBW和DBC之间在相同的自旋极化（在DBW和DBC处）且能量相似时发生强烈的杂化或相互作用。DBW中尖锐的自旋分辨反共振产生了高达100%效率的自旋过滤效应。
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