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).

引用

页数：9

共 50 条

[21] Photoemission and density functional theory study of Ge(100): Clean surface and Yb-induced (2x4) reconstruction
Kuzmin, M.
Punkkinen, M. P. J.
Laukkanen, P.
Perala, R. E.
Lang, J. J. K.
Dahl, J.
Adell, J.
Kokko, K.
SURFACE SCIENCE, 2013, 615 : 88 - 96
[22] CORE-LEVEL SHIFTS OF SILICON-HYDROGEN SPECIES ON CHEMICALLY TREATED SI SURFACES STUDIED BY HIGH-RESOLUTION X-RAY PHOTOELECTRON-SPECTROSCOPY
BJORKMAN, CH
ALAY, JL
NISHIMURA, H
FUKUDA, M
YAMAZAKI, T
HIROSE, M
APPLIED PHYSICS LETTERS, 1995, 67 (14) : 2049 - 2051
[23] SI INDIFFUSION ON GE(100)-(2X1) STUDIED BY CORE-LEVEL PHOTOEMISSION
LIN, DS
MILLER, T
CHIANG, TC
PHYSICAL REVIEW B, 1992, 45 (19): : 11415 - 11418
[24] Core-level shifts in x-ray photoelectron spectroscopy of arsenic defects in silicon crystal: A first-principles study
Yamauchi, Jun
Yoshimoto, Yoshihide
Suwa, Yuji
AIP ADVANCES, 2020, 10 (11)
[25] Atomic and electronic structure of the Yb/Ge(111)-(3x2) surface studied by high-resolution photoelectron spectroscopy
Kuzmin, M.
Schulte, K.
Laukkanen, P.
Ahola-Tuomi, M.
Perala, R. E.
Adell, M.
Balasubramanian, T.
Vayrynen, I. J.
PHYSICAL REVIEW B, 2007, 75 (16)
[26] High-resolution x-ray absorption spectroscopy of BaTiO3: Experiment and first-principles calculations
Chasse, A.
Borek, St.
Schindler, K. -M.
Trautmann, M.
Huth, M.
Steudel, F.
Makhova, L.
Graefe, J.
Denecke, R.
PHYSICAL REVIEW B, 2011, 84 (19)
[27] High-resolution core-level photoemission study of Eu-induced (3x2)/(3x4) reconstruction on Ge(111)
Kuzmin, M.
Perala, R. E.
Laukkanen, P.
Ahola-Tuomi, M.
Vayrynen, I. J.
PHYSICAL REVIEW B, 2006, 74 (11)
[28] Core-level photoemission spectroscopy of the β-SiC(100) c(4 x 2) surface
Aristov, VY
Enriquez, H
Derycke, V
Soukiassian, P
Le Lay, G
Grupp, C
Taleb-Ibrahimi, A
PHYSICAL REVIEW B, 1999, 60 (24) : 16553 - 16557
[29] Nitrogen 1s core-level shifts at the NH3 saturated Si(100)-2 x 1 surface:: a first-principles study
Rignanese, GM
Pasquarello, A
SURFACE SCIENCE, 2001, 490 (1-2) : L614 - L618
[30] High-resolution Si 2p core-level study of the K/Si(111)-(3x1) surface
Sakamoto, K
Zhang, HM
Uhrberg, RIG
SURFACE REVIEW AND LETTERS, 2002, 9 (02) : 1235 - 1239

← 1 2 3 4 5 →