Related papers: Electronic structure of solid coronene: difference…
The structure and electrical properties of a two-dimensional (2D) sheet of silicon on a graphene substrate are studied using first-principles calculations. A new corrugated rectangular structure of silicon is proposed to be the most…
The electronic structure of the recently synthesised (3x3) reconstructed silicene on (4x4) Ag(111) is investigated by first-principles calculations. New states emerge due to the strong hybridization between silicene and Ag. Analyzing the…
The electronic structure of electron doped iron-arsenide superconductors Ba(Fe1- xCox)2As2 has been measured with Angle Resolved Photoemission Spectroscopy. The data reveal a marked photon energy dependence of points in momentum space where…
We report on the effect of sp3 hybridized carbon atoms in acene derivatives adsorbed on metal surfaces, namely decoupling the molecules from the supporting substrates. In particular, we have used a Ag(100) substrate and hydrogenated…
Locally noncentrosymmetric structures in crystals are attracting much attention owing to emergent phenomena associated with the sublattice degree of freedom. The newly discovered heavy fermion superconductor CeRh$_2$As$_2$ is considered to…
The discovery of a new family of high Tc materials, the iron arsenides (FeAs), has led to a resurgence of interest in superconductivity. Several important traits of these materials are now apparent, for example, layers of iron tetrahedrally…
We report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt-In stacking along the c-direction in this layered material…
The recent discovery of graphene has sparked significant interest, which has so far been focused on the peculiar electronic structure of this material, in which charge carriers mimic massless relativistic particle. However, the structure of…
The dimensionality of a correlated many-body system has a large impact on its electronic properties. When electrons are confined to one-dimensional chains of atoms their behavior is very different than in higher dimensional systems because…
The cuprate superconductors and certain organic conductors exhibit transport which is qualitatively anisotropic, yet at the same time other properties of these materials strongly suggest the existence of a Fermi surface and low energy…
In this work, we present a comparative first principles study of mechanical properties, electronic structure, phonon dispersion relation, electron-phonon coupling and magnetism in three isostructural superconductors, namely, ThFeAsN,…
The microscopic understanding of high-temperature superconductivity in cuprates has been hindered by the apparent complexity of crystal structures in these materials. We used scanning tunneling microscopy and spectroscopy to study an…
We report electronic structure and physical properties of metal doped picene as well as selective synthesis of the phase exhibiting 18 K superconducting transition. First, Raman scattering is used to characterize the number of electrons…
We present electronic band structure of Ag$_5$Pb$_2$O$_6$ with layered hexagonal structure containing one-dimensional chains and two-dimensional Kagom\'{e} layers of silver. A half-filled conduction band shows extremely simple, single…
25 years after discovery of high-temperature superconductivity (HTSC) in La$_{2-x}$Ba$_x$CuO$_4$ (LBCO), the HTSC continues to pose some of the biggest challenges in materials science. Cuprates are fundamentally different from conventional…
We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified…
The orthorhombic compound AuSn4 is compositionally similar to the Dirac node arc semimetal PtSn$_4$. AuSn$_4$ is, contrary to PtSn$_4$, superconducting with a critical temperature of T$_c$ = 2.35 K. Recent measurements present indications…
We predict that electron-doped silicene is a good two-dimensional electron-phonon superconductor under biaxial tensile strain by first-principles calculations within rigid band approximation. Superconductivity transition temperature of…
Electronic structure of a newly discovered antiperovskite superconductor MgCNi$_3$ is investigated by using the LMTO band method. The main contribution to the density of states (DOS) at the Fermi energy $E_{\rm F}$ comes from Ni 3$d$ states…
Topological quantum materials hold great promise for future technological applications. Their unique electronic properties, such as protected surface states and exotic quasiparticles, offer opportunities for designing novel electronic…