首页> 外文期刊>Physical review. B, Condensed Matter And Materials Physics >Electronic structure of Co-induced magic clusters grown on Si(111)-(7 x 7): Scanning tunneling microscopy and spectroscopy and real-space multiple-scattering calculations
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Electronic structure of Co-induced magic clusters grown on Si(111)-(7 x 7): Scanning tunneling microscopy and spectroscopy and real-space multiple-scattering calculations

机译:在Si(111)-(7 x 7)上生长的Co诱导魔术团簇的电子结构:扫描隧道显微镜和光谱学以及实空间多散射计算

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摘要

The electronic structure of cobalt-induced magic clusters grown on Si(111)-(7 x 7) is investigated by scanning tunneling microscopy, scanning tunneling spectroscopy, and real-space multiple-scattering calculations. Topographical images of a half unit cell of Si(111)-(7 x 7) with the cluster acquired at low bias voltages of ± 0.4 V show greatly reduced cluster heights; however, the heights of the corner adatoms are unchanged, indicative of the highly localized nature of the charge distribution. Spectroscopic studies of the clusters indicate a band gap of ~0.8 eV, suggesting localized nonmetallic behavior. The opening of such a band gap is suggested to be a stabilizing factor for the observed magic clusters. A 65-atom Co-Si cluster is constructed to calculate the momentum- and element-projected density of states. The calculated result identifies that the intense state below the Fermi level at -1.75 V in the experimental spectroscopic curve is primarily due to localized 3d orbitals of Co atoms in the magic clusters.
机译:通过扫描隧道显微镜,扫描隧道光谱和实空间多重散射计算研究了在Si(111)-(7 x 7)上生长的钴诱导的魔术团簇的电子结构。 Si(111)-(7 x 7)的半晶胞的形貌图显示了在±0.4 V的低偏置电压下获得的团簇,其团簇高度大大降低。然而,角落原子的高度没有改变,表明电荷分布的高度局部性。团簇的光谱研究表明,带隙为〜0.8 eV,表明存在局部非金属行为。这种带隙的开放被认为是观察到的魔术团簇的稳定因素。构建了一个65原子的Co-Si团簇,以计算动量和元素投影的状态密度。计算结果表明,在实验光谱曲线中,费米能级低于-1.75 V时的强态主要归因于魔术团簇中Co原子的局部3d轨道。

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