Cu $_2$ N / Cu（100）上锰原子链的电子结构
Electronic structure of atomic manganese chains supported on Cu$_2$N / Cu (100)
摘要：
通过扫描隧道显微镜和密度泛函理论对吸附在$_2$/Cu（100）上的锰链进行研究，发现在费米能级以上的$\sim 1$ eV处存在一个未被怀疑的电子边缘态。这种Tamm-like状态强烈地局限于链的最后一个Mn原子，并且完全自旋极化。然而，没有发现等价的占据状态，和电子结构在$\sim -1$ eV主要是自旋非极化由于扩展的$p$ -状态的N原子，介导的Mn原子之间的耦合链。奇数Mn链呈现指数递减的直接耦合与两个边缘之间的距离，导致一个消失的键/反键分裂的状态，而偶数Mn链呈现完美的去耦的两个边缘由于反铁磁有序的Mn链。
英文摘要：
Scanning tunnelling microscopy and density functional theory studies of manganese chains adsorbed on Cu$_2$N/Cu (100) reveal an unsuspected electronic edge state at $\sim 1$ eV above the Fermi energy. This Tamm-like state is strongly localised to the last Mn atom of the chain and fully spin polarised. However, no equivalence is found for occupied states, and the electronic structure at $\sim -1$ eV is mainly spin unpolarised due to the extended $p$-states of the N atoms that mediate the coupling between the Mn atoms in the chain. Odd-numbered Mn chains present an exponentially decreasing direct coupling with distance between the two edges, leading to a vanishing bonding/anti-bonding splitting of states while even-numbered Mn chains present perfect decoupling of both edges due to the the antiferromagnetic ordering of Mn chains.
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