相关论文: Electronic structure of stacking faults in hexagon…

We report electronic band structure calculations for Sr$_{4}$Ru$_{3}$O$_{10}$ that displays both ferromagnetic and metamagnetic behavior. The density functional calculations find the ground state to be ferromagnetic in agreement with the…

We have performed an in situ angle-resolved photoemission spectroscopy (ARPES) on single-crystal surfaces of La$_{0.6}$Sr$_{0.4}$MnO$_{3}$ (LSMO) thin films grown on SrTiO$_{3}$ (001) substrates by laser molecular beam epitaxy, and…

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…

Electronic band structures (EBSs) for orthorhombic beta FeSe1-x at less than 16 K and up to 23 GPa using experimentally determined cell dimensions are evaluated for cosine-shaped bands near, or crossing, EF. Cosine shaped bands are present…

By means of first-principles calculations? we have probed the peculiarities of the elecrtonic band structure and Fermi surface for the recently discovered layered superconductor LaO0.5F0.5BiSi2 in comparison with the parent phase LaOBiO2.…

Cosine-shaped bands that occur in DFT-based electronic band structures for MgB2 are further analyzed with calculations along reciprocal directions parallel to the high symmetry G-A direction at regular intervals along G-M. Band degeneracies…

Rhombohedral (ABC-stacked) multilayer graphene hosts interaction-driven phases enabled by surface flat bands at large displacement fields. In thick flakes, however, strong screening suppresses internal electric fields, raising the question…

The electronic structure of Bernal-stacked graphite subject to tilted magnetic fields is studied theoretically. The minimal nearest-neighbor tight-binding model with the Peierls substitution is employed to describe the structure of Landau…

Few-layer graphene systems come in various stacking orders. Considering tight-binding models for electrons on stacked honeycomb layers, this gives rise to a variety of low-energy band structures near the charge neutrality point. Depending…

The 2D Fermi surface of 1st stage PdAl2Cl8 acceptor-type graphite intercalation compounds (GICs) has been investigated using the Shubnikov-de Haas (SdH) effect. One fundamental frequency is observed, the angular variation of which confirms…

MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…

We present a theoretical study on the electron transmission through the AB-BA stacking boundary in multilayer graphene. Using the tight-binding model and the transfer matrix method, we calculate the electron transmission probability through…

We determine the effect of quasiparticle interference on the spatial variations of the local density of states (LDOS) in graphite in the neighborhood of an isolated impurity. A number of characteristic behaviors of interference are…

Previously reported formulation for electrons on curved periodic surfaces is used to analyze the band structure of an electron bound on the gyroid surface (the only triply-periodic minimal surface that has screw axes). We find that an…

We propose a tunable electronic band gap and zero-energy modes in periodic heterosubstrate-induced graphene superlattices. Interestingly, there is an approximate linear relation between the band gap and the proportion of inhomogeneous…

We analyze the local density of states (LDOS) of heterostructures consisting of alternating ferromagnet, $F$, and superconductor, $S$, layers. We consider structures of the $SFS$ and $SFSFSFS$ type, with thin nanometer scale $F$ and $S$…

We report on surface effects on the electronic properties of interfaces in epitaxial LaAlO$_3$/SrTiO$_3$ heterostructures. Our results are based on first-principles electronic structure calculations for well-relaxed multilayer…

We use relativistic ab-initio methods combined with model Hamiltonian approaches to analyze the normal-phase electronic and structural properties of the recently discovered WP superconductor. Remarkably, the outcomes of such study can be…

The energy spectrum and electronic density of states (DOS) of zigzag graphene nanoribbons with edges reconstructed with topological defects are investigated within the tight-binding method. In case of the Stone-Wales zz (57) edge the…

Recent progress in porous carbon materials has highlighted the importance of structural design in controlling emergent physicochemical properties. In this context, hydrogen-substituted graphdiyne (HsGDY), a three-dimensional framework…