The electronic structure of $1T-\mathrm{Ta}{\mathrm{S}}_2$ showing a metal-insulator transition and a sequence of different charge density wave (CDW) transformations was discussed in the frame of variable temperature angle-resolved photoelectron spectroscopy (ARPES), scanning tunneling spectroscopy (STS), and density functional theory (DFT) calculations. For the commensurate charge density wave phase (CCDW) the Mott gap was estimated to be 0.4 eV and energy gaps ${\mathrm{\Delta }}_{\text{CCDW},1},{\mathrm{\Delta }}_{\text{CCDW},2},{\mathrm{\Delta }}_{B3-\mathit{HHB}},{\mathrm{\Delta }}_{B4-B3}$ were observed. For the nearly commensurate charge density wave phase (NCCDW), the reminiscent of higher and lower Hubbard bands and a very pronounced electronic state associated with the parabolic band at the $\overline{\mathrm{\Gamma }}$ point in the Brillouin zone were identified. The incommensurate charge density wave phase (ICCDW) showed a high value of local density of states at the Fermi level and a very pronounced edge of the metallic surface state located in the range of 0.15–0.20 eV above the Fermi level. The obtained STS and ARPES results were consistent with our theoretical calculations performed within DFT formalism including spin-orbit coupling.

We present optical, electrical, and structural properties of nitrogen-doped graphene grown on the Si face of 4H-SiC (0001) by chemical vapor deposition method using propane as the carbon precursor and N₂ as the nitrogen source. The incorporation of nitrogen in the carbon lattice was confirmed by X-ray photoelectron spectroscopy. Angle-resolved photoemission spectroscopy shows carrier behavior characteristic for massless Dirac fermions and confirms the presence of a graphene monolayer in the investigated nitrogen-doped samples. The structural and electronic properties of the material were investigated by Raman spectroscopy. A systematical analysis of the graphene Raman spectra, including D, G, and 2D bands, was performed. In the case of nitrogen-doped samples, an electron concentration on the order of 5–10 × 10¹² cm⁻² was estimated based upon Raman and Hall effect measurements and no clear dependence of the carrier concentration on nitrogen concentration used during growth was observed. This high electron concentration can be interpreted as both due to the presence of nitrogen in graphitic-like positions of the graphene lattice as well as to the interaction with the substrate. A greater intensity of the Raman D band and increased inhomogeneity, as well as decreased electron mobility, observed for nitrogen-doped samples, indicate the formation of defects and a modification of the growth process induced by nitrogen doping.

We report on a giant Rashba type splitting of metallic bands observed in one-dimensional structures prepared on a vicinal silicon substrate. A single layer of Pb on Si(553) orders this vicinal surface making perfectly regular distribution of monatomic steps. Although there is only one layer of Pb, the system reveals very strong metallic and purely one-dimensional character, which manifests itself in multiple surface state bands crossing the Fermi level in the direction parallel to the step edges and a small band gap in the perpendicular direction. As shown by spin-polarized photoemission and density functional theory calculations these surface state bands are spin-polarized and completely decoupled from the rest of the system. The experimentally observed spin splitting of 0.6 eV at room temperature is the largest found to now in the silicon-based metallic nanostructures, which makes the considered system a promising candidate for application in spintronic devices.

The interaction between graphene and germanium surfaces was investigated using a combination of microscopic and macroscopic experimental techniques and complementary theoretical calculations. Density functional theory (DFT) calculations for different reconstructions of the Ge(001) surface showed that the interactions between graphene and the Ge(001) surface introduce additional peaks in the density of states, superimposed on the graphene valence and conduction energy bands. The growth of graphene induces nanofaceting of the Ge(001) surface, which exhibits well-organized hill and valley structures. The graphene regions covered by hills are of high quality and exhibit an almost linear dispersion relation, which indicates weak graphene–germanium interactions. On the other hand, the graphene component occupying valley regions is significantly perturbed by the interaction with germanium. It was also found that the stronger graphene–germanium interaction observed in the valley regions is connected with a lower local electrical conductivity. Annealing of graphene/Ge(001)/Si(001) was performed to obtain a more uniform surface. This process results in a surface characterized by negligible hill and valley structures; however, the graphene properties unexpectedly deteriorated with increasing uniformity of the Ge(001) surface. To sum up, it was shown that the mechanism responsible for the formation of local conductivity inhomogeneities in graphene covering the Ge(001) surface is related to the different strength of graphene–germanium interactions. The present results indicate that, in order to obtain high-quality graphene, the experimental efforts should focus on limiting the interactions between germanium and graphene, which can be achieved by adjusting the growth conditions.

The crystallographic structure and morphology of the Si(553) surface ordered by Pb atoms are investigated with the reflection high-energy electron diffraction (RHEED), scanning tunneling microscopy (STM) and density functional theory (DFT) techniques. Adsorption of 1.3 monolayers of Pb, and a subsequent gentle annealing, causes regular distribution of Si atomic steps over the macroscopic sample area. The step periodicity is exactly the same as in the case of the Au-induced Si(553). However, the hybridization between Pb and Si atoms is weaker, as compared to Au and Si atoms on the Si(553) surface. Instead of two Au atomic chains strongly bonded to Si atoms, Pb forms a five-atom-wide nanoribbon on each Si(111) terrace. The simulated STM topography images obtained with the DFT calculations agree very well with the results obtained in the RHEED and STM experiments.