Rb adsorption on the Si(001)2×1 surface: An x-ray-standing-waves study

Castrucci, P.; Lagomarsino, S.; Scarinci, F.; Ge, Franklin

doi:10.1103/physrevb.51.5043

Cited by 13 publications

(6 citation statements)

References 31 publications

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“…This was based upon an estimation expecting that the value closely reproduces the sum of covalent radii. Castrucci et al [9], on the other hand, obtained the bond length to be 3.06 ± 0.03 Å which favors a partly ionic character for Rb-Si bonding. Our result supports the idea that the nature of Rb-Si bond is not purely covalent but is rather referred as ionic covalent.…”

Section: Resultsmentioning

confidence: 96%

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DFT study of Rb/Si(100)-2×1 system

2005

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We have investigated Rb adsorption on the Si(1 0 0) surface for 0.5 and 1 monolayer coverages using the total energy method with norm-conserving pseudopotentials. For 2 · 1 reconstruction at 1 ML coverage symmetrized dimers are found to be energetically more favorable. On the other hand, half a ML coverage is found to have symmetrical dimers only for the most stable adsorption model. All possible surface-adatom configurations have been considered in the calculations to find which adsorption sites are energetically favored. In addition to the structural properties, the interface is investigated electronically for the work function and surface states. The results are discussed and compared with the existing experimental findings.

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Section: Resultsmentioning

confidence: 96%

“…Silicon surfaces covered with alkali metal (AM) atoms have been investigated extensively for various coverage models [1][2][3][4][5][6][7][8][9][10]. The motivation behind these studies is to understand the metalsemiconductor junctions and to study metallization of semiconductor surfaces.…”

Section: Introductionmentioning

confidence: 99%

DFT study of Rb/Si(100)-2×1 system

2005

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“…Cesium and Rubidium on the Si(1 0 0) surface also been investigated [16][17][18][19][20][21][22]. However, Lithium, the lightest one of the alkali metals, has attracted much less interest.…”

Section: Introductionmentioning

confidence: 97%

First-principles study of lithium adsorption on Si(100)2×1 and Ge(100)2×1 surface at 1.0 monolayer coverage

Wang

Nie

et al. 2006

Chemical Physics

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“…[4][5][6][7][8][9][10][11][12] Recently, we have performed detailed calculations of the atomic and electronic structure of the Si͑001͒-Li chemisorption system, 13 and compared the results of these calculations with the existing experimental data, [14][15][16][17][18][19][20][21][22][23][24] and earlier theoretical work. 10,25,26 While some experimental work has been published on the interaction of Rb with the Si͑001͒ surface, [29][30][31][32][33] no theoretical investigation of this Si͑001͒-AM chemisorption system has been reported to our knowledge. The aim of this paper is to report the results of ab initio calculations of the atomic and electronic structure of the Si͑001͒-Rb system at 0.5 and 1.0 monolayer ͑ML͒ coverage.…”

Section: Introductionmentioning

confidence: 99%

“…At saturation coverage ͑ϳ1.0 ML͒ they found the LEED data exhibited a 2 ϫ 1 periodicity which they believed was due to the underlying Si dimer reconstruction. Castrucci et al 29 used the XSW method to study Rb adsorption on the Si͑001͒2 ϫ 1 surface at low ͑0.19± 0.02 ML͒ coverage and determined the Rb-Si bond length to be 3.06± 0.03 Å.…”

Section: Introductionmentioning

confidence: 99%

Atomic and electronic structure of theSi(001)−Rbchemisorption system at 0.5 and 1.0 monolayer coverage

2005

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The atomic and electronic structure of the Si͑001͒-Rb chemisorption system at 0.5 and 1.0 monolayer coverage has been investigated using the plane wave, pseudopotential density functional method contained in the VASP code. The atomic and electronic structures of the Rb chemisorption system at 0.5 monolayer coverage are found to be very similar to the Li chemisorption system at the same coverage. The minimum energy structure determined for the Si͑001͒-Rb chemisorption system at 1.0 ML coverage has been found to be in good agreement with the x-ray standing-wave ͑XSW͒ field data. The predicted occupied and unoccupied electronic surface state bands have also been shown to be in excellent agreement with the ARUPS and IPES results. The calculations suggest that the bonding between the Rb adatoms and the Si substrate atoms is neither purely ionic nor covalent. No evidence has been found in support of strong Rb-Rb interactions and the formation of a metallic overlayer.

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Rb adsorption on the Si(001)2×1 surface: An x-ray-standing-waves study

Cited by 13 publications

References 31 publications

DFT study of Rb/Si(100)-2×1 system

DFT study of Rb/Si(100)-2×1 system

First-principles study of lithium adsorption on Si(100)2×1 and Ge(100)2×1 surface at 1.0 monolayer coverage

Atomic and electronic structure of theSi(001)−Rbchemisorption system at 0.5 and 1.0 monolayer coverage

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