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Electronic and atomic structures of a 3x3 surface formed by a binary Sn/Ag overlayer on the Ge(111)c(2x8) surface: ARPES, LEED, and STM studies
Linköping University, Department of Physics, Chemistry and Biology, Surface and Semiconductor Physics. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Surface and Semiconductor Physics. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Surface and Semiconductor Physics. Linköping University, The Institute of Technology.
2012 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 85, no 20, 205409- p.Article in journal (Refereed) Published
Abstract [en]

The electronic and atomic structures of a well-ordered 3x3 periodicity of a binary Sn/Ag overlayer on Ge(111) have been studied. The ordered binary overlayer was formed by depositing 0.75 monolayer of Sn on an Ag/Ge(111) root 3x root 3 surface. Annealing at 330 degrees C resulted in a low-energy electron diffraction pattern that exhibited sharp spots. A detailed electronic structure investigation was performed by angle-resolved photoelectron spectroscopy. The Sn/Ag/Ge(111) 3x3 surface shows a rich band structure. There are seven bands which are positively identified as 3x3 surface bands, all within 1.5 eV below the Fermi level (E-F). The upper two bands disperse across E-F exhibiting steep almost linear dispersions down to a minimum energy of approximate to 0.40 eV below E-F at the (Gamma) over bar point (approximate to 0.30 eV at the (K) over bar point). Constant energy contours have been mapped in the 3x3 surface Brillouin zone (SBZ) in order to study an intriguing split observed in the band structure related to the two upper bands. It turned out that the two upper bands are degenerate along the (Gamma) over bar - (K) over bar and (M) over bar - (K) over bar symmetry lines of the 3x3 SBZ but separated along (Gamma) over bar - (M) over bar. Scanning tunneling microscopy images obtained at approximate to 40 K show essentially a hexagonal structure except for a honeycomb structure in a limited bias range imaging empty states. Core-level spectroscopy shows a narrow Sn 4d spectrum consistent with the high degree of structural order.

Place, publisher, year, edition, pages
American Physical Society , 2012. Vol. 85, no 20, 205409- p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-77726DOI: 10.1103/PhysRevB.85.205409ISI: 000303655800006OAI: diva2:529458

Funding Agencies|Swedish Research Council (VR)||Knut and Alice Wallenberg Foundation (KAW)||

Available from: 2012-05-30 Created: 2012-05-28 Last updated: 2014-03-14
In thesis
1. Experimental and Theoretical Studies of Metal Adsorbates Interacting with Elemental Semiconductor Surfaces
Open this publication in new window or tab >>Experimental and Theoretical Studies of Metal Adsorbates Interacting with Elemental Semiconductor Surfaces
2014 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Metal adsorbates on semiconductor surfaces have been widely studied over the last few decades. The main interest is focused on various one or two-dimensional structures that exhibit interesting electronic and atomic properties. This thesis focuses on metal adsorbates interacting with the Si(111) and Ge(111) surfaces. The main experimental techniques used in the thesis include angle resolved photoelectron spectroscopy (ARPES), core-level spectroscopy, scanning tunneling microscopy (STM), and low energy electron diffraction (LEED). The experimental studies have, in some cases, been complemented by theoretical electronic structure investigations based on density functional theory (DFT).

Silver (Ag), a noble metal, gives rise to several reconstructions on the (111) surfaces of Si and Ge. The Ag/Si(111)  surface has been extensively studied, but the Ag/Ge(111)  surface has not been given similar attention, and there are no detailed experimental nor calculated electronic band structures available in the literature. Thus, a detailed ARPES investigation of the electronic structure of the Ag/Ge(111)  surface, with nominally 1 monolayer (ML) of Ag, is presented in the thesis together with its atomic structure.

The Ag/Si(111)  and Ag/Ge(111)  surfaces were also studied by first principles DFT based calculations (WIEN2k). Two atomic models have been suggested for the  surfaces in the literature, i.e., the honeycomb-chained-trimer (HCT) and the in-equivalent trimer (IET) models. Band structure calculations were performed for both models, and comparisons between calculated and experimental surface band structures are presented for the Si and Ge cases.

Adding approximately 0.2 ML of Ag to Ag/Ge(111)  results in a 6×6 phase. The electronic structure of the surface is presented in detail. Several new bands appear in the energy region close the Fermi level, which can all be explained by umklapp scattering by reciprocal lattice vectors of the 6×6 lattice. A metal to semiconductor transition, associated  with the  to 6×6 structural change, is explained by gaps opening up where the umklapp scattered bands cross.

After having established sufficient understanding of the Ag/Si(111)  and Ag/Ge(111)  surfaces, they were used as substrates for the formation of binary surface alloys. An amount of 0.45 ML of Sn, in combination with the Ag of the Ag/Ge(111)  surface, forms a well-defined xbinary alloy. The surface band structure shows some modifications compared to that of Ag/Ge(111)  surface. The STM results show clearly the x periodicity.

A Sn coverage of 0.75 ML on the Ag/Ge(111)  surface results in a very wellordered 3×3 surface alloy. This alloy shows a very rich surface band structure in which the upper band exhibits peculiar splits. Two-dimensional constant energy contour data reveal the existence of two rotated contours which is related to the presence of split bands in certain directions. STM images show a hexagonal or a honeycomb structure depending on sample to tip bias.

A similar amount of Sn (0.75 ML) was also evaporated onto the Ag/Si111)  surface, with the purpose to form a surface alloy on Si(111). This resulted in a very well-ordered Sn/Ag/Si(111)2×2 periodicity. The surface shows an interesting free electron like band which crosses the Fermi level. STM images reveal clear, but differently looking, protrusions in the 2×2 unit cell when comparing empty and filled state images. The atomic structure of the surface alloy was modelled by DFT calculations using structural information provided by the STM images. The modelling resulted in a structure consisting of Sn and Ag trimers and a fourth Ag atom located at the corner of the 2×2 cell. In addition, the calculated electronic structure based on the proposed model is consistent with experimental results, which verifies the atomic model.

Another combination of metals, 1.33 ML of Pb and 0.85 ML of In, resulted in the formation of a well-defined In/Pb/Ge(111)3×3 surface alloy. The 3×3 surface exhibits an interesting band structure where five surface bands were identified of which four cross the Fermi level resulting in a metallic character of the surface. Two-dimensional constant energy data reveal the presence of intricate rotated hexagon like contours which intersect each other along the  and  directions of the surface Brillouin zone. The STM results reveal nine bright protrusions per 3×3 unit cell.

Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press, 2014. 55 p.
Linköping Studies in Science and Technology. Dissertations, ISSN 0345-7524 ; 1575
National Category
Natural Sciences
urn:nbn:se:liu:diva-105223 (URN)10.3384/diss.diva-105223 (DOI)978-91-7519-399-1 (print) (ISBN)
Public defence
2014-04-03, Planck, Fysikhuset, Campus Valla, Linköpings universitet, Linköping, 10:15 (English)
Available from: 2014-03-13 Created: 2014-03-13 Last updated: 2014-03-14Bibliographically approved

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