Related papers: Band Unfolding Made Simple
We present a comparative study of numerical methods for computingelectronic densities of states (DOS) in periodic systems. We provide a detailed analysis of the domain of validity of the Brillouincomplex deformation (BCD), a…
A detailed understanding of interacting electrons in twisted bilayer graphene (tBLG) near the magic angle is required to gain insights into the physical origin of the observed broken symmetry phases. Here, we present extensive atomistic…
The supersolid phase of a dipolar Bose-Einstein condensate has an intriguing excitation spectrum displaying a band structure. Here, the dressing of an impurity in a one-dimensional dipolar supersolid with the excitations of the supersolid…
Dispersionless electronic bands lead to an extremely high density of states and suppressed kinetic energy, thereby increasing electronic correlations and instabilities that can shape emergent ordered states, such as excitonic,…
The band alignment of semiconductor-metal interfaces plays a vital role in modern electronics, but remains difficult to predict theoretically and measure experimentally. For interfaces with strong band bending a main difficulty originates…
A twist between two systems offers the possibility to drastically change the underlying physical properties. To that end, we study the bandstructure of twisted moir\'e potentials in detail. At sets of commensurate twisting angles, the low…
Recent experiments show how a bilayer graphene twisted around a certain magic angle becomes superconducting as it is doped into a region with approximate flat bands. We investigate the mean-field $s$-wave superconducting state in such a…
Monolayer graphene placed with a twist on top of AB-stacked bilayer graphene hosts topological flat bands in a wide range of twist angles. The dispersion of these bands and gaps between them can be efficiently controlled by a perpendicular…
Owing to the interaction between the layers, the twisted bilayer two-dimensional materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in…
The dispersion relations of energy bands in solids are characterized by their density of states, but a given density of states may originate from various band structures. We show how a spherically symmetric dispersion can be constructed for…
Reconstructing a density of states or similar distribution from moments or continued fractions is an important problem in calculating the electronic and vibrational structure of defective or non-crystalline solids. For single bands a…
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…
A method is introduced to analyze the degeneracy properties of the band structure of a photonic crystal making use of the super cells. The band structure associated with a super cell of a photonic crystal has degeneracies at the edge of the…
Superconductivity in single-layer graphene has attracted considerable interest. Here, using the determinant quantum Monte Carlo method, we study transitions of superconductivity and magnetism in a monolayer graphene with a special periodic…
The phonon spectra of twisted bilayer graphene (tBLG) are analyzed for a series of 692 twisting angle values in the $[0,30{\degree}]$ range. The evolution of the phonon bandstructure as a function of twist angle is examined using a band…
We consider Bose-Einstein condensation in flat-band models from a real-space perspective. Using a basis of compact localized states, we reformulate the minimization of the mean-field energy as a Euclidian geometry problem. Within Bogoliubov…
Van der Waals heterostructures obtained by artificially stacking two-dimensional crystals represent the frontier of material engineering, demonstrating properties superior to those of the starting materials. Fine control of the interlayer…
Beta-phase gallium oxide ($\beta$-Ga$_2$O$_3$) research has gained accelerated pace due to its superiorly large bandgap and commercial availability of large-diameter native substrates. However, the high acceptor activation energy obstructs…
It remains unknown if every prismatoid has a nonoverlapping edge-unfolding, a special case of the long-unsolved "D\"urer's problem." Recently nested prismatoids have been settled [Rad24] by mixing (in some sense) the two natural unfoldings,…
We present a first-principles method for deriving effective low-energy models of electrons in solids having entangled band structure. The procedure starts with dividing the Hilbert space into two subspaces, the low-energy part ("$d$…