相关论文: Band Unfolding Made Simple

We propose a method to probe the local density of states (LDOS) of atomic systems that provides both spatial and energy resolution. The method combines atomic and tunneling techniques to supply a simple, yet quantitative and operational,…

A flat energy dispersion of electrons at the Fermi level of a material leads to instabilities in the electronic system and can drive phase transitions. Here we introduce a method to induce a flat band in two-dimensional (2D) materials. We…

By tuning the angle between graphene layers to specific "magic angles" the lowest energy bands of twisted bilayer graphene (TBLG) can be made flat. The flat nature of the bands favors the formation of collective ground states and, in…

The link between chemical orbitals described by local degrees of freedom and band theory, which is defined in momentum space, was proposed by Zak several decades ago for spinless systems with and without time-reversal in his theory of…

Single-molecule atomic force spectroscopy probes elastic properties of titin, ubiquitin and other relevant proteins. We explain bioprotein folding dynamics under both length- and force-clamp by modeling polyprotein modules as particles in a…

The effects of downfolding a Brillouin zone can open gaps and quench the kinetic energy by flattening bands. Quasiperiodic systems are extreme examples of this process, which leads to new phases and critical eigenstates. We analytically and…

External magnetic field profiles leading to equidistant and partially equidistant bilayer graphene spectra within the tight-binding model are obtained. This is achieved by implementing the integral and differential versions of the…

Certain lattices with specific geometries have one or more spectral bands that are strictly flat, i.e. the electron energy is independent of the momentum. This can occur robustly irrespective of the specific couplings between the lattices…

Nonequilibrium experiments of single biomolecules such as force-induced unfolding reveal details about a few degrees of freedom of a complex system. Molecular dynamics simulations can provide complementary information, but exploration of…

Collider data must be corrected for detector effects ("unfolded") to be compared with many theoretical calculations and measurements from other experiments. Unfolding is traditionally done for individual, binned observables without…

Dispersionless flat bands are proposed to be a fundamental ingredient to achieve the various sought after quantum states of matter including high-temperature superconductivity1-4 and fractional quantum Hall effect5-6. Materials with such…

Atomic-scale variations in semiconductor heterostructures, arising from strain, interfaces, and compositional modulation, strongly influence electronic band dispersion but remain difficult to probe and compare using first-principles methods…

Plane wave density functional theory codes generally assume periodicity in all three dimensions. This causes difficulties when studying charged systems, for instance energies per unit cell become infinite, and, even after being renormalised…

A perpendicular electric field breaks the layer symmetry of Bernal-stacked bilayer graphene, resulting in the opening of a band gap and a modification of the effective mass of the charge carriers. Using scanning tunneling microscopy and…

We present a comprehensive study of the vacancy in bulk silicon in all its charge states from 2+ to 2-, using a supercell approach within plane-wave density-functional theory, and systematically quantify the various contributions to the…

Band engineering in twisted bilayers of the five generic two-dimensional Bravais networks is demonstrated. We first derive symmetry-based constraints on the interlayer coupling, which helps us to predict and understand the shape of the…

Motivated by the recent efforts in creating the flat band in ultracold atomic systems, we investigate how to probe the flat band in an optically-trapped spin-orbital coupled Bose-Einstein condensate using Bragg spectroscopy. We have found…

Electronic spectra of typical single FeSe layer superconductors obtained from ARPES data reveal several puzzles: what is the origin of shallow and the so called "replica" bands near M-point and why the hole-like Fermi surfaces near…

The ``band-structure'' of a disordered stripe array is computed and compared, at a qualitative level, to angle resolved photoemission experiments on the cuprate high temperature superconductors. The low-energy states are found to be…

Starting from three-dimensional elasticity we derive a rod theory for biphase materials with a prescribed dislocation at the interface. The stored energy density is assumed to be non-negative and to vanish on a set consisting of two copies…