Rare-earth silicide thin films on the Si(111) surface

S. Sanna; C. Dues; W. G. Schmidt; F. Timmer; J. Wollschlaeger; M. Franz; S. Appelfeller; M. Daehne

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Rare-earth silicide thin films on the Si(111) surface

机译：Si（111）表面上的稀土硅化物薄膜

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Rare-earth induced layered structures on the Si(111) surface are investigated by a combined approach consisting of ab initio thermodynamics, electron and x-ray diffraction experiments, angle-resolved photoelectron spectroscopy, and scanning tunneling microscopy. Our density functional theory calculations predict the occurrence of structures with different periodicity, depending on the rare-earth availability. Microscopic structural models are assigned to the different silicide phases on the basis of stability criteria. The thermodynamically stable theoretical models are then employed to interpret the experimental results. The agreement between the simulated and measured scanning tunneling microscopy images validates the proposed structural models. The electronic properties of the surfaces are discussed on the basis of the calculated electronic band structure and photoelectron spectroscopy data.

机译：通过从头算热力学，电子和X射线衍射实验，角度分辨光电子能谱和扫描隧道显微镜组成的组合方法，研究了Si（111）表面上的稀土诱导的层状结构。我们的密度泛函理论计算根据稀土的可用性预测具有不同周期性的结构的出现。根据稳定性标准，将微观结构模型分配给不同的硅化物相。然后使用热力学稳定的理论模型来解释实验结果。模拟和测量的扫描隧道显微镜图像之间的一致性验证了所提出的结构模型。在计算出的电子能带结构和光电子能谱数据的基础上讨论了表面的电子性质。

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《Physical review》 |2016年第19期|195407.1-195407.20|共20页
作者
S. Sanna; C. Dues; W. G. Schmidt; F. Timmer; J. Wollschlaeger; M. Franz; S. Appelfeller; M. Daehne;
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Department Physik, Universitaet Paderborn, 33095 Paderborn, Germany;

Department Physik, Universitaet Paderborn, 33095 Paderborn, Germany;

Department Physik, Universitaet Paderborn, 33095 Paderborn, Germany;

Department Physik, Universitaet Osnabrueck, 49069 Osnabrueck, Germany;

Department Physik, Universitaet Osnabrueck, 49069 Osnabrueck, Germany;

Institut fuer Festkoerperphysik, Technische Universitaet Berlin, 10623 Berlin, Germany;

Institut fuer Festkoerperphysik, Technische Universitaet Berlin, 10623 Berlin, Germany;

Institut fuer Festkoerperphysik, Technische Universitaet Berlin, 10623 Berlin, Germany;

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1. Rare-earth silicide thin films on the Si(111) surface [J] . Sanna S., Dues C., Schmidt W. G., Physical review, B . 2016,第19期

机译：Si（111）表面上的稀土硅化物薄膜
2. Energy surfaces of rare-earth silicide films on Si(111) [J] . M. Wanke, M. Franz, M. Vetterlein, Surface Science . 2009,第17期

机译：Si（111）上的稀土硅化物薄膜的能量表面
3. Formation and properties of thin films of iron silicides on Si(111) Surface: Ab initio simulation [J] . Kuyanov I.A., Alekseev A.A., Zotov A.V. Technical physics letters: Letters to the Russian journal of applied physics . 2012,第3期

机译：Si（111）表面上硅化铁薄膜的形成和性能：从头算
4. Initial stages of Eu and Yb silicides films growth on Si(111) surfaces [C] . Krachino, T.V., Kuzmin, . 1996

机译：Eu和Yb硅化物的初期生长在Si（111）表面上
5. ATOMIC AND ELECTRONIC STRUCTURE OF ULTRATHIN IRON FILMS ON Si(111) AND MgO(001) SURFACES [D] . Urano, Toshio 1987

机译：Si（111）和MgO（001）表面上超薄铁膜的原子和电子结构
6. Spectroscopic Analysis of Rare-Earth Silicide Structures on the Si(111) Surface [O] . Simone Sanna, Julian Plaickner, Kris Holtgrewe, 2021

机译：Si（111）表面上稀土硅化物结构的光谱分析
7. Electronic structure and Fermi surface of two-dimensional rare-earth silicides epitaxially grown on Si(111) [O] . Rogero, C., Koitzsch, Christian, González, M. E., 2008

机译：Si（111）外延生长的二维稀土硅化物的电子结构和费米表面
8. XPS Study of the Formation of Ultrathin Platinum and Iridium Silicide Layers on Si(100) and Si(111) Surfaces. [R] . Morgan, S. J., Williams, R. H. 1990

机译：Xps研究si（100）和si（111）表面上超薄铂和铱硅化物层的形成。

Rare-earth silicide thin films on the Si(111) surface

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