Emergence of state at Fermi level due to the formation of In-Sn heterodimers on Si(100)-2 × 1

P. Sobotik; M. Setvin; P. Zimmermann; P. Kocan; I. Ostadal; P. Mutombo; M. Ondracek; P. Jelinek

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Emergence of state at Fermi level due to the formation of In-Sn heterodimers on Si(100)-2 × 1

机译：由于在Si（100）-2×1上形成In-Sn异二聚体而在费米能级出现状态

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Structure and electronic properties of one-dimensional bimetallic In-Sn chains formed by codeposition on a Si(100)-2 × 1 surface are studied experimentally by means of scanning tunneling microscopy (STM) and scanning tunneling spectroscopy and theoretically using density-functional theory. The codeposition of In with a small amount of Sn allows separation of various In-Sn structures and their identification in empty-state STM images. A 16 × 2 supercell is employed to model an indium atomic chain in which one or two Sn atoms are embedded. This atomic model is used to identify unambiguously various In-Sn structures observed experimentally. At low Sn:In ratio the codeposition results in strongly preferential formation of isolated heterogeneous In-Sn dimers. The In-Sn dimer induces tilting of the neighboring homogeneous In-In dimer accompanied with a charge transfer. Consequently a localized state at Fermi level appears. These results contribute to a discussion on possible transport of electric charge along one-dimensional atomic chains of metals.

机译：通过扫描隧道显微镜（STM）和扫描隧道光谱学，并通过密度泛函理论从理论上研究了通过共沉积在Si（100）-2×1表面上形成的一维双金属In-Sn链的结构和电子性质。。 In与少量Sn的共沉积可分离各种In-Sn结构，并在空状态STM图像中进行识别。使用16×2超级电池来模拟其中嵌入一个或两个Sn原子的铟原子链。该原子模型用于确定实验观察到的各种In-Sn结构。在低的Sn：In比值下，共沉积会导致优先形成孤立的异质In-Sn二聚体。 In-Sn二聚体引起相邻的均质In-In二聚体倾斜，并伴随电荷转移。因此，出现了费米能级的局部状态。这些结果有助于讨论电荷可能沿着金属的一维原子链传输的问题。

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《Physical review》 |2013年第20期|205406.1-205406.7|共7页
作者
P. Sobotik; M. Setvin; P. Zimmermann; P. Kocan; I. Ostadal; P. Mutombo; M. Ondracek; P. Jelinek;
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Charles, University in Prague, Faculty of Mathematics and Physics, Department of Plasma and Surface Science,V Holesovickach 2,180 00 Praha 8, Czech Republic;

Charles, University in Prague, Faculty of Mathematics and Physics, Department of Plasma and Surface Science,V Holesovickach 2,180 00 Praha 8, Czech Republic;

Charles, University in Prague, Faculty of Mathematics and Physics, Department of Plasma and Surface Science,V Holesovickach 2,180 00 Praha 8, Czech Republic;

Charles, University in Prague, Faculty of Mathematics and Physics, Department of Plasma and Surface Science,V Holesovickach 2,180 00 Praha 8, Czech Republic;

Charles, University in Prague, Faculty of Mathematics and Physics, Department of Plasma and Surface Science,V Holesovickach 2,180 00 Praha 8, Czech Republic;

Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnicka 10, 162 00 Praha 6, Czech Republic;

Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnicka 10, 162 00 Praha 6, Czech Republic;

Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnicka 10, 162 00 Praha 6, Czech Republic;

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Emergence of state at Fermi level due to the formation of In-Sn heterodimers on Si(100)-2 × 1

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