Yb-induced (2x3) and (2x4) reconstructions on Si(100) studied by first-principles calculations and high-resolution core-level photoelectron spectroscopy

被引：8
|
作者：
Kuzmin, M. [1 ,2 ]
Punkkinen, M. P. J. [1 ]
Laukkanen, P. [1 ,3 ]
Perala, R. E. [1 ]
Ahola-Tuomi, M. [1 ]
Balasubramanian, T. [4 ]
Vayrynen, I. J. [1 ]
机构：
[1] Univ Turku, Dept Phys, FIN-20014 Turku, Finland
[2] Russian Acad Sci, AF Ioffe Physicotech Inst, St Petersburg 194021, Russia
[3] Tampere Univ Technol, Optoelect Res Ctr, FIN-33101 Tampere, Finland
[4] Lund Univ, MAX Lab, SE-22100 Lund, Sweden
来源：
PHYSICAL REVIEW B | 2008年 / 78卷 / 04期
关键词：
D O I：
10.1103/PhysRevB.78.045318
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We report here a combined theoretical and experimental study of Yb/Si(100)-(2x3) and -(2x4) reconstructions by means of first-principles calculations and high-resolution core-level photoelectron spectroscopy. Energetically stable atomic structures are presented for these reconstructions. Yb atoms are found to occupy the cave sites in the structures, and the Si substrate is strongly rearranged due to Yb adsorption. It is shown that scanning tunneling microscopy images and surface core-level shifts (SCLSs) calculated for these atomic configurations agree with experimental data, giving further support to the models. In addition, by comparing our theoretical and experimental Si 2p results, we discuss and interpret the atomic origins of SCLSs measured for the YbSi(100)-(2x3)/(2x4). Finally, the results presented are helpful in the analysis of (2x3) and (2x4) structures induced by other rare earth metals on Si(100).
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页数：9
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