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Surface core-level shifts on Ge(lll)c(2 x 8): Experiment and theory

机译：Ge（III）c（2 x 8）上的表面核能级移动：实验和理论

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摘要

Combining high-resolution photoelectron spectroscopy and density functional theory (DFT) calculations, 3d photoemission line shape and surface core-level shifts have been reinvestigated on the Ge( 111)c(2 × 8) surface. It is found that 3d spectra include, in addition to the bulk and three surface-shifted components reported in literature, a component that was not identified in earlier measurements with a lower resolution. The detailed interpretation of these spectra and their line shape is made on the basis of DFT calculations. It is shown that the lowest binding energy component is due to the rest atoms. The higher binding energy emission is caused by the adatoms and the third-layer atoms that are below the adatoms. Finally, the two other surface components originate from the first-and second-layer atoms. The screening effects in the Ge(l 1 l)c(2 × 8) are discussed.
机译：结合高分辨率光电子能谱和密度泛函理论（DFT）计算，在Ge（111）c（2×8）表面上对3d光发射线的形状和表面核能级位移进行了重新研究。发现3d光谱除了文献中报道的体积和三个表面位移成分外，还包括早期测量中未发现的较低分辨率的成分。这些光谱及其线形的详细解释是基于DFT计算得出的。结果表明，最低的结合能成分归因于其余原子。较高的结合能发射是由吸附原子和吸附原子下方的第三层原子引起的。最后，其他两个表面成分源自第一层和第二层原子。讨论了Ge（11 l）c（2×8）中的筛选效应。

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  • 来源
    《Physical review》 |2011年第24期|p.245319.1-245319.8|共8页
  • 作者

    M. Kuzmin; M. J. P. Punkkinen; P. Laukkanen; J. J. K. Lang; J. Dahl; V. Tuominen; M. Tuominen; R. E. Peraelae; T. Balasubramanian; J. Adell; B. Johansson; L. Vitos; K. Kokko; I. J. Vaeyrynen;

  • 作者单位

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland,IB.83ffe Physical-Technical Institute, Russian Academy B.83f Sciences, St. Petersburg 194021, Russian FederatiB.83n;

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland,Applied Materials Physics, Department B.83f Materials Science and Engineering, RB.83yal Institute B.83f TechnB.83lB.83gy, SE-10044 StB.83ckhB.83lm, Sweden;

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland,B.83ptB.83electrB.83nics Research Centre, Tampere University B.83f TechnB.83lB.83gy, FIN-33101 Tampere, Finland;

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland;

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland;

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland;

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland;

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland;

    MAX-lab, Lund University, SE-221 00 Lund, Sweden;

    MAX-lab, Lund University, SE-221 00 Lund, Sweden;

    Applied Materials Physics, Department B.83f Materials Science and Engineering, RB.83yal Institute B.83f TechnB.83lB.83gy, SE-10044 StB.83ckhB.83lm, Sweden,CB.83ndensed Matter TheB.83ry GrB.83up, Physics Department, Uppsala University. SE-75121 Uppsala, Sweden;

    Applied Materials Physics, Department B.83f Materials Science and Engineering, RB.83yal Institute B.83f TechnB.83lB.83gy, SE-10044 StB.83ckhB.83lm, Sweden,CB.83ndensed Matter TheB.83ry GrB.83up, Physics Department, Uppsala University. SE-75121 Uppsala, Sweden,Research Institute fB.83r SB.83lid State Physics and B.83ptics, P. B.83. BB.83x 49, H-1525 Budapest, Hungary;

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland;

    Department B.83f Physics and AstrB.83nB.83my, University B.83f Turku, FIN-20014 Turku, Finland;

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  • 正文语种 eng
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  • 关键词

    clean metal, semiconductor, and insulator surfaces; density functional theory, local density approximation, gradient and other corrections; semiconductor surfaces;

    机译：清洁金属;半导体和绝缘体表面;密度泛函理论;局部密度近似;梯度和其他校正;半导体表面;

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