Related papers: Reduced Wannier representation for topological ban…
A notion of band limited functions is considered in the case of the hyperbolic plane in its Poincare upper half-plane $\mathbb{H}$ realization. The concept of band-limitedness is based on the existence of the Helgason-Fourier transform on…
In the presence of crystalline symmetries, second-order topological insulators can be featured by the polarization which is believed identical to the Wannier center. In this Letter, we show that second-order topological insulators are…
In this paper we present calculations on the electronic band structure of a two-dimensional lateral superlattice subject to a perpendicular magnetic field by employing a projection operator technique based on the ray-group of…
Analyzing human vasculature and vessel-like, tubular structures, such as airways, is crucial for disease diagnosis and treatment. Current methods often rely on small sub-regions or simplified tree-like structures, rendering analysis of…
Classical nonlinear dimensionality reduction (NLDR) techniques like t-SNE, Isomap, and LLE excel at creating low-dimensional embeddings for data visualization but fundamentally lack the ability to map these embeddings back to the original…
Transition metal dichalcogenide materials $MX_2 (M=Mo,W;X=S,Se)$ are being thoroughly studied due to their novel two-dimensional structure, that is associated with exceptional optical and transport properties. From a computational point of…
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…
Recent development on fractional Chern insulators and proximate phases call for a real space representation of isolated Chern bands. Here we propose a new method for a general construction of optimally localized Wannier functions from such…
The design of periodic nanostructures allows to tailor the transport of photons, phonons, and matter waves for specific applications. Recent years have seen a further expansion of this field by engineering topological properties. However,…
A new method for the localization of crystalline orbitals for entangled energy bands is proposed. It is an extension of the Wannier-Boys algorithm [C. M. Zicovich-Wilson, R. Dovesi, and V. R. Saunders, J. Chem. Phys. 115, 9708 (2001)] which…
Localized Wannier functions provide an efficient and intuitive means by which to compute dielectric properties from first principles. They are most commonly constructed in a post-processing step, following total-energy minimization.…
The interplay between symmetry and topology leads to a rich variety of electronic topological phases, protecting states such as the topological insulators and Dirac semimetals. Previous results, like the Fu-Kane parity criterion for…
Pretrained (language) embeddings are versatile, task-agnostic feature representations of entities, like words, that are central to many machine learning applications. These representations can be enriched through retrofitting, a class of…
Photonic structures with topologically nontrivial bands are usually designed by arranging simple meta-atoms, ideally, single-mode ones, in a carefully designed photonic lattice with symmetry that guarantees the emergence of topological…
Deep generative models have demonstrated successful applications in learning non-linear data distributions through a number of latent variables and these models use a nonlinear function (generator) to map latent samples into the data space.…
Topological flat bands at the Fermi level offer a promising platform to study a variety of intriguing correlated phase of matter. Here we present band engineering in the twisted orbital-active bilayers with spin-orbit coupling. The symmetry…
A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn's method and L\"owdin method such that…
We present an ab initio analysis of a continuous Hamiltonian that maps into the celebrated Haldane model. The tunnelling coefficients of the tight-binding model are computed by means of two independent methods - one based on the maximally…
Given data, deep generative models, such as variational autoencoders (VAE) and generative adversarial networks (GAN), train a lower dimensional latent representation of the data space. The linear Euclidean geometry of data space pulls back…
We build symmetry adapted maximally localized Wannier states, and construct the low energy tight binding model for the four narrow bands of the twisted bilayer graphene. We do so when the twist angle is commensurate, near the `magic' value,…