Related papers: Bloch's theorem in orbital-density-dependent funct…
In this paper we solve the Cattaneo-Vernotte Equation for a periodic heterostructure made of alternate layers of different materials. The solutions describe thermal waves traveling in a periodic system, and it allows us to introduce the…
The high-symmetry pseudocubic init cell is often used for modelling the electronic structure of halide perovskites. However, direct comparison of the band structure with more realistic low-symmetry phases is impeded by the zone folding. We…
Within the wave-packet semiclassical approach, the Bloch electron energy is derived to second order in the magnetic field and classified into gauge-invariant terms with clear physical meaning, yielding a fresh understanding of the complex…
In the tight-binding description of electronic, photonic, or cold atomic dynamics in a periodic lattice potential, particle motion is described in terms of hopping amplitudes and potentials on an abstract network of discrete sites…
We address the problem of interacting electrons in an external potential by introducing the occupied spectral density $\rho(\mathbf{r},\omega)$ as fundamental variable. First, we formulate the problem using an embedding framework, and prove…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
The construction of Wannier functions from Bloch orbitals offers a unitary freedom that can be exploited to yield Wannier functions with advantageous properties. Minimizing the spatial variance is a well-known choice; another, previously…
We review the formalisms of the self-consistent GW approximation to many-body perturbation theory and of the generation of optimally-localized Wannier functions from groups of energy bands. We show that the quasiparticle Bloch wave…
There have been significant recent advances in realizing bandstructures with geometrical and topological features in experiments on cold atomic gases. We provide an overview of these developments, beginning with a summary of the key…
We consider a semi-periodic two-dimensional Schr\"odinger operator which is cut at an angle. When the cut is commensurate with the periodic lattice, the spectrum of the operator has the band-gap Bloch structure. We prove that in the…
While the Bloch spectrum of translationally invariant noninteracting lattice models is trivially obtained by a Fourier transformation, diagonalizing the same problem in the presence of open boundary conditions is typically only possible…
We present a flexible method that can calculate Bloch modes, complex band structures, and impedances of two-dimensional photonic crystals from scattering data produced by widely available numerical tools. The method generalizes previous…
We investigate the localization properties of independent electrons in a periodic background, possibly including a periodic magnetic field, as e.g. in Chern insulators and in Quantum Hall systems. Since, generically, the spectrum of the…
We introduce an orbital free electron density functional approximation based on alchemical perturbation theory. Given convergent perturbations of a suitable reference system, the accuracy of popular self-consistent Kohn-Sham density…
We develop a mean-field theory of the stability of fractional Chern insulators based on the dipole picture of composite fermions (CFs). We construct CFs by binding vortices to Bloch electrons and derive a CF single-particle Hamiltonian that…
Traditional theories of electron transport in crystals are based on the Boltzmann equation and do not capture physics arising from quantum coherence. We introduce a transport formalism based on ''orbital Wigner functions'', which accurately…
Complex periodic structures inherit spectral properties from the constituent parts of their unit cells, chiefly their spectral band gaps. Exploiting this intuitive principle, which is made precise in this work, means spectral features of…
Periodic structures are ubiquitous in quantum many-body systems and quantum field theories, ranging from lattice models, compact spaces, to topological phenomena. However, previous bootstrap studies encountered technical challenges even for…
Density functional theory provides the most widespread framework for the realistic description of the electronic structure of solids, but the description of strongly-correlated systems has remained so far elusive. Here we consider a…
Using the Green's function formalism, an ab initio theory for band structures of crystals is derived starting from the Hartree-Fock approximation. It is based on the algebraic diagrammatic construction scheme for the self-energy which is…