Related papers: Compactly-supported Wannier functions and algebrai…
Let $L$ be a periodic self-adjoint linear elliptic operator in $\R^n$ with coefficients periodic with respect to a lattice $\G$, e.g. Schr\"{o}dinger operator $(i^{-1}\partial/\partial_x-A(x))^2+V(x)$ with periodic magnetic and electric…
We study the conditions for Bloch bands to be spanned by symmetric and strictly compact Wannier states that have zero overlap with all lattice sites beyond a certain range. Similar to the characterization of topological insulators in terms…
From the order-N electronic-structure formulation, a Hamiltonian is derived, of which lowest eigen state is the generalized or composite-band Wannier state. This Hamiltonian maps the locality of the Wannier state to that of a virtual…
Paley-Wiener type theorems describe the image of a given space of functions, often compactly supported functions, under an integral transform, usually a Fourier transform on a group or homogeneous space. Several authors have studied…
This paper provides a mathematical perspective on fragile topology phenomena in condensed matter physics. In dimension $d \leq 3$, vanishing Chern classes of bundles of Bloch eigenfunctions characterize operators with exponentially…
Typical Wannier-function downfolding starts with a mean-field or density functional set of bands to construct the Wannier functions. Here we carry out a controlled approach, using DMRG-computed natural orbital bands, to downfold the…
A hallmark of certain topology, including the Chern number, is the obstruction to constructing exponentially localized Wannier functions in the bulk bands. Conversely, other types of topology do not necessarily impose Wannier obstructions.…
We construct a Wannier basis for twisted bilayer graphene that is projected only from the Bloch functions of the twisted bilayer flat bands. The $C_3$ and $C_{2} \mathcal{T}$ symmetries act locally on the Wannier functions while the Wannier…
Functionals that strive to correct for such self-interaction errors, such as those obtained by imposing the Perdew-Zunger self-interaction correction or the generalized Koopmans' condition, become orbital dependent or orbital-density…
We propose a general method of constructing Wannier functions in disordered systems directly out of energy eigenstates. This method consists of two successive operations: (i) a phase transformation setting the proper localization center;…
We consider single particle Schrodinger operators with a gap in the en ergy spectrum. We construct a complete, orthonormal basis function set for the inv ariant space corresponding to the spectrum below the spectral gap, which are…
We show that an optimized projection functions method can automatically construct maximally localized Wannier functions even for bands with nontrivial topology. We demonstrate this method on a tight-binding model of a two-dimensional…
Within this paper we outline a method able to generate truly minimal basis sets which describe either a group of bands, a band, or even just the occupied part of a band accurately. These basis sets are the so-called NMTOs, Muffin Tin…
We systematically construct flatbands (FB) for tight-binding models on simple Bravais lattices in space dimension $d \geq 2$ in the presence of a static uniform DC field. Commensurate DC field directions yield irreducible Wannier-Stark (WS)…
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…
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 propose a new class of tight-binding models where a flat band is either gapped from or crossing right through a dispersive band on two-band (i.e., two sites/unit cell) tetragonal and honeycomb lattices. By imposing a condition on the…
A Chern band is characterized by a Wannier obstruction indicating the absence of a basis of complete, orthogonal, and exponentially-localized states. Here, we study the properties of real space bases of a Chern band obtained by relaxing…
While topology can impose obstructions to exponentially localized Wannier functions, certain topological insulators are exempt from such Wannier obstructions. The absence of the Wannier obstructions can further accompany topological…
Recently there is a surge of interests in the so-called topologically protected corner states in 2D and 3D systems. Such systems are considered as high order topological insulators. Wannier centers are used as topological invariants to…