Related papers: Bloch's theorem in orbital-density-dependent funct…
This work deals with the micromechanical study of periodic thermo-diffusive elastic multi-layered materials, which are of interest for the fabrication of solid oxide fuel cells (SOFCs). The focus is on the dynamic regime, that is…
The Kronig-Penney model, an exactly solvable one-dimensional model of crystal in solid physics, shows how the allowed and forbidden bands are formed in solids. In this paper, we study this model in the presence of both strong spin-orbit…
We consider a quantum particle in a periodic structure submitted to a constant external electromotive force. The periodic background is given by a smooth potential plus singular point interactions and has the property that the gaps between…
We consider a two-dimensional electron gas with Rashba's spin-orbit interaction and two in-plane potentials superimposed along directions perpendicular to each other. The first of these potentials is assumed to be a general periodic…
In this paper we consider the continuity of the band functions and Bloch functions of the differential operators generated by the differential expressions with periodic matrix coefficients.
The complex band structure of an isolated polyethylene chain is calculated within Density Functional Theory (DFT). A plane wave basis and ultrasoft pseudopotentials are used. The results are compared with those obtained via a local basis…
We show that flat bands can be categorized into two distinct classes, that is, singular and nonsingular flat bands, by exploiting the singular behavior of their Bloch wave functions in momentum space. In the case of a singular flat band,…
A novel Bloch-waves based one-step theory of photoemission is developed within the augmented plane wave formalism. Implications of multi-Bloch-wave structure of photoelectron final states for band mapping are established. Interference…
An arbitrarily dense discretisation of the Bloch sphere of complex Hilbert states is constructed, where points correspond to bit strings of fixed finite length. Number-theoretic properties of trigonometric functions (not part of the…
Using principles of asymptotic analysis, we derive the exact leading corrections to the Thomas-Fermi kinetic energy approximation for Kohn-Sham electrons for slabs. This asymptotic expansion approximation includes crucial quantum…
The Schr\"odinger equation and Bloch theorem are applied to examine a system of protons confined within a periodic potential, accounting for deviations from ideal harmonic behavior due to real-world conditions like truncated and…
Integrals of products of Bessel functions exhibit an intriguing feature: under certain conditions on the parameters specifying the integrand, they vanish identically. We provide a physical interpretation of this feature in the context of…
Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function that is…
An analytical formulation for the band structure and Bloch modes in elliptically birefringent magnetophotonic crystals is presented. The model incorporates both the effects of gyrotropy and linear birefringence generally present in…
Relations between particle and wave properties for charge carriers in periodic potentials of crystalline metals and semiconductors are derived. The particle aspects of electrons and holes in periodic potentials are considered using…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
A new method for calculation of band structure has been proposed based on the Green's function theory and local sampling. Potential energy in the Hamiltonian of Schrodinger's equation is approximated with a series of sampled Dirac delta…
Recent studies have revealed that the quantum geometry of electronic bands determines the electromagnetic properties of non-interacting insulators and semimetals. However, the role of quantum geometry in the optical responses of interacting…
Flat bands are an ideal environment to realize unconventional electronic phases. Here, we show that fermionic systems with dissipation governed by a Bloch Lindbladian can realize dispersionless bands for sufficiently strong coupling to an…
The Koopman operator framework holds promise for spectral analysis of nonlinear dynamical systems based on linear operators. Eigenvalues and eigenfunctions of the Koopman operator, so-called Koopman eigenvalues and Koopman eigenfunctions,…