Related papers: Band structure and transport studies on PdAl2Cl8-i…
The 5x5, 6rt(3)x6rt(3)-R30deg, and graphene-covered 6rt(3)x6rt(3)-R30deg reconstructions of the SiC(0001) surface are studied by scanning tunneling microscopy and spectroscopy. For the 5x5 structure a rich spectrum of surface states is…
Using density-functional theory, we calculate the electronic bandstructure of single-layer graphene on top of hexagonal In_2Te_2 monolayers. The geometric configuration with In and Te atoms at centers of carbon hexagons leads to a Kekule'…
We present a detailed in-situ Raman analysis of stage-1 KC8, CaC6, and LiC6 graphite intercalation compounds (GIC) to unravel their intrinsic finger print. Four main components were found between 1200 cm-1 and 1700 cm-1, and each of them…
Using scanning tunneling microscopy and spectroscopy, for a monolayer of transition metal dichalcogenide H-NbS$_2$ grown by molecular beam epitaxy on graphene, we provide unambiguous evidence for a charge density wave (CDW) with a…
Measurements of x-ray emission and absorption spectra of the constituents of MgB$_2$ are presented. The results obtained are in good agreement with calculated x-ray spectra, with dipole matrix elements taken into account. The comparison of…
We present first-time measurements of the Fermi surface and low-energy electronic structure of intermetallic compounds Gd2PdSi3 and Tb2PdSi3 by means of angle-resolved photoelectron spectroscopy (ARPES). Both materials possess a flower-like…
Since the advent of graphene, two-dimensional (2D) materials become very attractive and there is growing interest to explore new 2D beyond graphene. Here, through density functional theory (DFT) calculations, we predict 2D wide-band-gap…
It has been shown that the first C layer on the SiC(0001)(2{\times}2)C surface already exhibits graphene-like electronic structure, with linear pi bands near the Dirac point. Indeed, the (2{\times}2)C reconstruction, with a Si adatom and C…
Pressure dependence of the Shubnikov-de Haas (SdH) oscillations spectra of the quasi-two di- mensional organic metal (ET)8[Hg4Cl12(C6H5Br)]2 have been studied up to 1.1 GPa in pulsed magnetic fields of up to 54 T. According to band…
We have examined theoretically the electronic band structure and Fermi surface of tetragonal low-temperature superconductor Bi2Pd. Our main results are that (i) the Pd 4d and Bi 6p states determine the main peculiarities of the…
The structural and electronic properties of cubic GaN are studied within the local density approximation by the full-potential linear muffin-tin orbitals method. The Ga $3d$ electrons are treated as band states, and no shape approximation…
The diversified essential properties of the stage-n graphite alkali-intercalation compounds are thoroughly explored by the first-principles calculations. According to their main features, the lithium and non-lithium materials might be quite…
Band gap of monolayer and few layers in two dimensional (2D) semiconductors has usually been measured by optical probing such as photoluminescence (PL). However, if their exfoliated thickness is as large as a few nm (multilayer over ~5L),…
GICs doped with elements containing d and f orbitals have been studied rarely. We control the distribution and density of intercalated actinide metals (Th, U and Pu), and consider the effect of changing the distance of two adjacent carbon…
The recent experimental synthesis of 2D graphitic C3N5 has attracted lot of interests in its electronic and optical properties and its comparison with other graphitic C3N4 and C3N3. To this end, we performed DFT calculations using more…
We measure the adsorption height of hydrogen-intercalated quasi-free-standing monolayer graphene on the (0001) face of 6H silicon carbide by the normal incidence x-ray standing wave technique. A density functional calculation for the full…
We report electric field-controlled modulation of the Fermi surface topology and explore its effects on the superconducting state in alternating-angle twisted quadrilayer graphene (TQG). The unique combination of flat and dispersive bands…
The bands of graphite are extremely sensitive to topological defects which modify the electronic structure. In this paper we found non-dispersive flat bands no farther than 10 meV of the Fermi energy in slightly twisted bilayer graphene as…
We report a density-functional theory study of the structural and electronic properties of Cd2V2O7 under high-pressure conditions. The calculations have been performed by using first-principle calculations with the CRYSTAL program. The…
We investigate the electronic properties of a hybrid system that comprises single-bilayer graphene structures subjected to a perpendicular magnetic field. Specifically, our focus is on the behavior exhibited by the zigzag boundaries of the…