Structural and electronic properties of C60 fullerene network self-assembled on metal-covered semiconductor surfaces.

Using first-principles density functional theory calculations, we made an accurate structural characterization of the C60 superstructures self-assembled on the Tl-adsorbed Si(111) and Ge(111) surfaces, which finds a good agreement with the recent scanning tunneling microscopy observations. Our band structure calculations revealed the semi-metallic character of the C60/Tl/Si(111) system, while the C60/Tl/Ge(111) system was found to show up the pronounced metallic character due to the cascade of the flat bands lying in the vicinity of the Fermi level. The latter is a fingerprint for strong correlation effects in the C60/Tl/Ge(111) system, which makes it a promising object for studying electrical transport phenomena and opens the prospects for its application in the molecular-based electronic devices. We elucidated the details of the molecule-substrate and intermolecular interactions and discussed the character of a charge transfer in both systems.

Atomic, electronic and transport properties of In-Au 2D compound on Si(1 0 0).

Two-dimensional (In, Au)/Si(1 0 0)c(2 [Formula: see text] 2) compound was synthesized and its atomic arrangement, electron band structure and low-temperature transport properties were characterized using scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and four-point-probe resistivity measurements assisted with first-principles density-functional-theory calculations. The present results are compared to those obtained earlier for the parent (Tl, Au)/Si(1 0 0)c(2 [Formula: see text] 2) system.

Electronic properties of the two-dimensional (Tl, Rb)/Si(1 1 1)[Formula: see text] compound having a honeycomb-like structure.

Heavy metal layers having a honeycomb structure on the Si(1 1 1) surface were theoretically predicted to show prospects for possessing properties of the quantum spin Hall (QSH) insulators. The (Tl, Rb)/Si(1 1 1)[Formula: see text] atomic-layer compound synthesized in the present work is the first real system of such type, where atoms of heavy metal Tl are arranged into the honeycomb structure stabilized by Rb atoms occupying the centers of the honeycomb units. Electronic properties of the (Tl, Rb)/Si(1 1 1)[Formula: see text] compound has been fully characterized experimentally and theoretically and compared with those of the hypothetical (Tl, H)/Si(1 1 1)[Formula: see text] prototype system. It is concluded that the QSH-insulator properties of the Tl-honeycomb layers on Si(1 1 1) surface are dictated by the stable adsorption sites occupied by Tl atoms which, in turn, are controlled by the atom species centering the Tl honeycombs. As a result, the real (Tl, Rb)/Si(1 1 1)[Formula: see text] compound where Tl atoms occupy the T4 sites does not possess QSH-insulator properties in contrast to the hypothetical (Tl, H)/Si(1 1 1)[Formula: see text] system where Tl atoms reside in the T1 (on-top) sites and it shows up as a QSH material.

From C60 "trilliumons" to "trilliumenes:" Self-assembly of 2D fullerene nanostructures on metal-covered silicon and germanium.

We discovered a set of C60 nanostructures that appear to be constructed using a universal building block made of four C60 molecules on Si(111) or Ge(111) surfaces covered by an atomic layer of Tl, Pb, or their compound. The building block is a four-C60 cluster having a shape reminiscent of the three-petal flower "white trillium." Therefore, we call it "trilliumon" and the various 2D ordered nanostructures derived from it "trilliumenes." Self-assembly of the trilliumenes is a result of an intricate interplay among the adsorbed C60 molecules, metal atoms, and semiconductor substrates. Remarkably, all metal layers triggering formation of trilliumenes on the Si(111) surface have recently been reported to be the thinnest 2D superconductors. In this respect, the trilliumenes show promise to be 2D nanostructured superconductors whose properties are awaiting their exploration.

(Tl, Au)/Si(1 1 1)[Formula: see text] 2D compound: an ordered array of identical Au clusters embedded in Tl matrix.

Formation of the highly-ordered [Formula: see text]-periodicity 2D compound has been detected in the (Tl, Au)/Si(1 1 1) system as a result of Au deposition onto the Tl/Si(1 1 1) surface, its composition, structure and electronic properties have been characterized using scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density-functional-theory calculations. On the basis of these data, the structural model of the Tl-Au compound has been proposed, which adopts 12 Tl atoms and 10 Au atoms (in total, 22 atoms) per [Formula: see text] unit cell, i.e. ∼1.71 ML of Tl and ∼1.43 ML of Au (in total, ∼3.14 ML). Qualitatively, the model can be visualized as consisting of truncated-pyramid-like Au clusters with a Tl atom on top, while the other Tl atoms form a double layer around the Au clusters. The (Tl, Au)/Si(1 1 1)[Formula: see text] compound has been found to exhibit pronounced metallic properties at least down to temperatures as low as ∼25 K, which makes it a promising object for studying electrical transport phenomena in the 2D metallic systems.

2D Tl-Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure.

Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), [Formula: see text]-(Tl, Pb) and [Formula: see text]-(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)[Formula: see text] system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound contains six Tl atoms and seven Pb atoms per [Formula: see text] unit cell (i.e. ∼0.67 ML Tl and ∼0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] and (Tl, Pb)/Ge(1 1 1)[Formula: see text] compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)[Formula: see text], these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.