Abstract:Bi-covered ( √ 3 × √ 3) reconstructed Si(111) surface has been studied by fi rst principles calculations. Three different Bi coverages have been considered: 1 monolayer (ML), 1/3 ML and 2/3 ML, leading to the milkstool, T4 and the honeycomb structural models, respectively. Our total energy calculations show that the milkstool model is the energetically most stable structure for high Bi coverages followed by the T4 model for low Bi coverages, without going through a stable structure for the honeycomb model. We … Show more
“…Here, we define 1 ML as the atom density of bulk-truncated Si or Ge(111). The P/Ge(111) [12], Sb/Si(111) [13][14][15] and Bi/Si(111) [16][17][18][19] surfaces at 1 ML have the ( √ 3 × √ 3)R30 • structure with a common adatom geometry (T 4 trimer). Adatoms adsorb near the T 1 sites of bulk-truncated Si or Ge(111) and form triangular trimer units centered at the T 4 sites.…”
We have determined the atomic structure of the Bi/Ge(111)-[Formula: see text] surface by dynamical low-energy electron diffraction (LEED) analysis and scanning tunneling microscopy (STM). The optimized atomic structure consists of Bi atoms which are adsorbed near the T(1) sites of the bulk-truncated Ge(111) surface and form triangular trimer units centered at the T(4) sites. The atomically resolved STM image was consistent with the LEED result. The structural parameters agree well with those optimized by a first-principles calculation which supports the interpretation of the electronic band splitting on this surface in terms of the giant Rashba effect.
“…Here, we define 1 ML as the atom density of bulk-truncated Si or Ge(111). The P/Ge(111) [12], Sb/Si(111) [13][14][15] and Bi/Si(111) [16][17][18][19] surfaces at 1 ML have the ( √ 3 × √ 3)R30 • structure with a common adatom geometry (T 4 trimer). Adatoms adsorb near the T 1 sites of bulk-truncated Si or Ge(111) and form triangular trimer units centered at the T 4 sites.…”
We have determined the atomic structure of the Bi/Ge(111)-[Formula: see text] surface by dynamical low-energy electron diffraction (LEED) analysis and scanning tunneling microscopy (STM). The optimized atomic structure consists of Bi atoms which are adsorbed near the T(1) sites of the bulk-truncated Ge(111) surface and form triangular trimer units centered at the T(4) sites. The atomically resolved STM image was consistent with the LEED result. The structural parameters agree well with those optimized by a first-principles calculation which supports the interpretation of the electronic band splitting on this surface in terms of the giant Rashba effect.
“…[16][17][18][19][20][21] In particular, the structural model of Bi adsorbed on Si(111) has been investigated experimentally [22][23][24][25][26][27] as well as theoretically [25]. The well-known structural reconstruction proposed for the √ 3× √ 3R30…”
“…Here, we define 1 ML as the atom density of bulk-truncated Si or Ge(111). The P/Ge(111) [12], Sb/Si(111) [13,14,15] and Bi/Si(111) [16,17,18,19] surfaces at 1 ML have the (…”
Section: Structure Determination Of Bi/ge(111)-(mentioning
Abstract. We have determined the atomic structure of the Bi/Ge(111)-(• surface by dynamical low-energy electron diffraction (LEED) analysis and scanning tunneling microscopy (STM). The optimized atomic structure consists of Bi atoms which are adsorbed near the T 1 sites of the bulk-truncated Ge(111) surface and form triangular trimer units centered at the T 4 sites. The atomically resolved STM image was consistent with the LEED result. The structural parameters agree well with those optimized by a first-principles calculation which supports the interpretation of the electronic band splitting on this surface in terms of the giant Rashba effect.
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