Related papers: Reentrant semiconducting behavior in polymerized f…
Penta-graphene is a quasi-two-dimensional carbon allotrope consisting of a pentagonal lattice in which both sp2 and sp3-like carbons are present. Unlike graphene, penta-graphene exhibits a non-zero bandgap, which opens the possibility of…
We report on a theoreticl study of the electronic structure of quasiperiodic, quasi-one-dimensional systems where fully three dimensional interaction potentials are taken into account. In our approach, the actual physical potential acting…
Influence of a nonmagnetic surface on the density of states in a spin-split superconductor, which is realized on the basis of a S/F bilayer, is investigated. It is demonstrated that if the ferromagnet magnetization has a defect in the form…
The electronic structures of four semiconductor compounds BaCu2S2, BaCu2Se2, BaAg2S2, and BaAg2Se2 are studied by density functional theory using both semi-local and hybrid functionals. The ionization energies and electron affinities were…
Two-dimensional polyaniline sheet has been recently synthesized and found that it is a semiconductor with indirect band gap. Polyaniline nanoribbons decomposed from two-dimensional polyaniline sheet (C3N sheet) are investigated using…
Motivated by the experimental detection of superconductivity in the low-carrier density half-Heusler compound YPtBi, we study the pairing instabilities of three-dimensional strongly spin-orbit coupled semimetals with a quadratic band…
Superconductivity in the new polymerized C60 fullerite clathrate doped with simple metals was investigated through density functional theory methods. The phonon dispersion curves were systematically computed for the clathrate structures…
Quasi one dimensional materials provide a compelling platform where reduced dimensionality stabilizes intertwined topological and superconducting phases. Here we report superconductivity in a new Bi based quasi 1D compound, PtPb3Bi, which…
The valence band electronic structure of Pr$_{0.5}$Sr$_{0.5}$MnO$_3$ has been investigated across its paramagnetic metallic (PMM) - ferromagnetic metallic (FMM) - antiferromagnetic insulator (AFMI) transition. Using surface sensitive high…
We investigate the electronic structure of the c(4 x 2) reconstructed Ge(001) surface using band structure calculations based on density functional theory and the generalized gradient approximation. In particular, we take into account the…
Many-body effects in condensed matter yield novel quantum states when the electronic density of states is enhanced. A vivid example is flat bands, which suppress kinetic energy and let interactions dominate, when they are filled with an…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
Here we report a pressure-induced reemergence of superconductivity in recently discovered superconductor K2Mo3As3, which is the first experimental case observed in quasi-one-dimensional superconductors. We find that, after full suppression…
Inspired by [25], this paper investigates subwavelength bandgaps in phononic crystals consisting of periodically arranged hard elastic materials embedded in a soft elastic background medium. Our contributions are threefold. First, we…
In this letter we study the electronic structures and optical properties of partially and fully fluorinated graphene by a combination of abinitio G0W0 calculations and large-scale multi-orbital tight-binding simulations. We find that for…
Angle-resolved photoelectron spectroscopy is used for a detailed study of the electronic structure of the topological insulator Bi2Se3. Nominally stoichiometric and calcium-doped samples were investigated. The pristine surface shows the…
Doped free carriers can substantially renormalize electronic self-energy and quasiparticle band gaps of two-dimensional (2D) materials. However, it is still challenging to quantitatively calculate this many-electron effect, particularly at…
Superconductivity, characterized by dissipationless current flow with flux expulsion or quantization, is usually muted when the magnetic field or the temperature is sufficiently high. However, in rare instances, superconductivity can…
In recent years, there has been a renewed interest in the proximity effect due to its role in the realization of topological superconductivity. Here, we study a superconductor--normal metal proximity system with repulsive electron-electron…
Using valence band photoemission we have demonstrated the presence of a pseudogap in the near Fermi level electronic spectrum of some of the mixed phase compositions of Sm$_{1-x}$Ca$_x$MnO$_3$ system. The pseudogap was found to grow in size…